methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

C19H21N5O3 — CID 143345113

IUPACmethyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1ncnc2c1N(C)CC2N
InChIInChI=1S/C19H21N5O3/c1-24-8-13(20)15-17(24)16(22-9-21-15)18(25)23-14-6-4-10-7-11(19(26)27-2)3-5-12(10)14/h3,5,7,9,13-14H,4,6,8,20H2,1-2H3,(H,23,25)/t13?,14-/m0/s1
InChIKeyTWEJPIRKDNDIRU-KZUDCZAMSA-N
MW367.41 g/mol
LogP1.13
Rot. Bonds3

About methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 143345113) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID143345113
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namemethyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1ncnc2c1N(C)CC2N
InChIInChI=1S/C19H21N5O3/c1-24-8-13(20)15-17(24)16(22-9-21-15)18(25)23-14-6-4-10-7-11(19(26)27-2)3-5-12(10)14/h3,5,7,9,13-14H,4,6,8,20H2,1-2H3,(H,23,25)/t13?,14-/m0/s1
InChIKeyTWEJPIRKDNDIRU-KZUDCZAMSA-N
XLogP1.13
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate with MolForge

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Related Compounds

6-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;6-methoxycarbonylpyrimidine-4-carboxylic acid;methyl 6-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
CID 157286195
methyl (1S)-1-[(7-amino-5-methylpyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;thiophene-3-carbonyl chloride
CID 160698061
(1S)-1-[[3-[(4-carboxycyclohexyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 90928445
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-methoxypyridine-2-carboxamide
CID 138494566
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
methyl (1S)-1-[[6-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 71123365
2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412839
5-(aminomethyl)-3-methyl-1,3-benzoxazol-2-one;5-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid;hydrochloride
CID 161190350
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
5-(aminomethyl)-3-methyl-1,3-benzoxazol-2-one;6,8-diamino-2-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]imidazo[1,5-a]pyrimidine-4-carboxylic acid;hydrochloride
CID 161261435
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 143345113) is methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1ncnc2c1N(C)CC2N.
What is the InChIKey of methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is TWEJPIRKDNDIRU-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24-8-13(20)15-17(24)16(22-9-21-15)18(25)23-14-6-4-10-7-11(19(26)27-2)3-5-12(10)14/h3,5,7,9,13-14H,4,6,8,20H2,1-2H3,(H,23,25)/t13?,14-/m0/s1.
What are the key properties of methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-[(7-amino-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 143345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).