2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate

C74H91N17O8 — CID 159958266

IUPAC2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)(C)Cc2cnc(N)nc2-4)C1.CC1(C)Cc2cnc(N)nc2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)Cc2cnc(N)nc2-c2[nH]c3ccc(C(=O)O)cc3c21
InChIInChI=1S/C26H32N6O3.C22H25N5O.C17H16N4O2.C9H18N2O2/c1-25(2,3)35-24(34)32-9-8-16(13-32)29-22(33)14-6-7-18-17(10-14)19-21(30-18)20-15(11-26(19,4)5)12-28-23(27)31-20;1-22(2)10-13-11-24-21(23)27-18(13)19-17(22)15-9-12(7-8-16(15)26-19)20(28)25-14-5-3-4-6-14;1-17(2)6-9-7-19-16(18)21-13(9)14-12(17)10-5-8(15(22)23)3-4-11(10)20-14;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h6-7,10,12,16,30H,8-9,11,13H2,1-5H3,(H,29,33)(H2,27,28,31);7-9,11,14,26H,3-6,10H2,1-2H3,(H,25,28)(H2,23,24,27);3-5,7,20H,6H2,1-2H3,(H,22,23)(H2,18,19,21);7H,4-6,10H2,1-3H3
InChIKeyOCZKNJBVNAHZQQ-UHFFFAOYSA-N
MW1346.65 g/mol
LogP11.19
Rot. Bonds5

About 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate

2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate (PubChem CID 159958266) has the molecular formula C74H91N17O8 and a molecular weight of 1346.65 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate
PubChem CID159958266
Molecular FormulaC74H91N17O8
Molecular Weight1346.65 g/mol
Exact Mass1345.72
IUPAC Name2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)(C)Cc2cnc(N)nc2-4)C1.CC1(C)Cc2cnc(N)nc2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)Cc2cnc(N)nc2-c2[nH]c3ccc(C(=O)O)cc3c21
InChIInChI=1S/C26H32N6O3.C22H25N5O.C17H16N4O2.C9H18N2O2/c1-25(2,3)35-24(34)32-9-8-16(13-32)29-22(33)14-6-7-18-17(10-14)19-21(30-18)20-15(11-26(19,4)5)12-28-23(27)31-20;1-22(2)10-13-11-24-21(23)27-18(13)19-17(22)15-9-12(7-8-16(15)26-19)20(28)25-14-5-3-4-6-14;1-17(2)6-9-7-19-16(18)21-13(9)14-12(17)10-5-8(15(22)23)3-4-11(10)20-14;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h6-7,10,12,16,30H,8-9,11,13H2,1-5H3,(H,29,33)(H2,27,28,31);7-9,11,14,26H,3-6,10H2,1-2H3,(H,25,28)(H2,23,24,27);3-5,7,20H,6H2,1-2H3,(H,22,23)(H2,18,19,21);7H,4-6,10H2,1-3H3
InChIKeyOCZKNJBVNAHZQQ-UHFFFAOYSA-N
XLogP11.19
TPSA383.37 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001346.65
LogP ≤ 511.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]pyrrolidine-1-carboxylate
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tert-butyl (3R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pyrrolidine-1-carboxylate
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tert-butyl 3-[(3-amino-4-propan-2-yloxybenzoyl)amino]pyrrolidine-1-carboxylate
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15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate?
The IUPAC name of 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate (CID 159958266) is 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)C1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)(C)Cc2cnc(N)nc2-4)C1.CC1(C)Cc2cnc(N)nc2-c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)Cc2cnc(N)nc2-c2[nH]c3ccc(C(=O)O)cc3c21.
What is the InChIKey of 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate?
The InChIKey is OCZKNJBVNAHZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3.C22H25N5O.C17H16N4O2.C9H18N2O2/c1-25(2,3)35-24(34)32-9-8-16(13-32)29-22(33)14-6-7-18-17(10-14)19-21(30-18)20-15(11-26(19,4)5)12-28-23(27)31-20;1-22(2)10-13-11-24-21(23)27-18(13)19-17(22)15-9-12(7-8-16(15)26-19)20(28)25-14-5-3-4-6-14;1-17(2)6-9-7-19-16(18)21-13(9)14-12(17)10-5-8(15(22)23)3-4-11(10)20-14;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h6-7,10,12,16,30H,8-9,11,13H2,1-5H3,(H,29,33)(H2,27,28,31);7-9,11,14,26H,3-6,10H2,1-2H3,(H,25,28)(H2,23,24,27);3-5,7,20H,6H2,1-2H3,(H,22,23)(H2,18,19,21);7H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate?
2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate has a molecular weight of 1346.65 g/mol, XLogP of 11.19, 5 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 159958266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).