2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide

C18H23N7O2 — CID 59199494

IUPAC2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3[nH]c(C)cc23)n1
InChIInChI=1S/C18H23N7O2/c1-10-6-12-14(23-10)4-3-5-15(12)24-17-13(16(20)26)8-22-18(25-17)21-7-11(19)9-27-2/h3-6,8,11,23H,7,9,19H2,1-2H3,(H2,20,26)(H2,21,22,24,25)/t11-/m1/s1
InChIKeyAJWCSAXOZPPGKS-LLVKDONJSA-N
MW369.43 g/mol
LogP1.49
Rot. Bonds8

About 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide

2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 59199494) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID59199494
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3[nH]c(C)cc23)n1
InChIInChI=1S/C18H23N7O2/c1-10-6-12-14(23-10)4-3-5-15(12)24-17-13(16(20)26)8-22-18(25-17)21-7-11(19)9-27-2/h3-6,8,11,23H,7,9,19H2,1-2H3,(H2,20,26)(H2,21,22,24,25)/t11-/m1/s1
InChIKeyAJWCSAXOZPPGKS-LLVKDONJSA-N
XLogP1.49
TPSA143.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Quisinostat
CID 11538455
Quisinostat Hydrochloride
CID 25067557
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-1,2,4-triazine-6-carboxamide
CID 72202738
7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056544
N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162659127
Aminopyrimidine deriv. 10
CID 6539888
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056548
1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23581858
1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23581859
1-(butylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582564

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide (CID 59199494) is 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide is COC[C@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3[nH]c(C)cc23)n1.
What is the InChIKey of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is AJWCSAXOZPPGKS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-10-6-12-14(23-10)4-3-5-15(12)24-17-13(16(20)26)8-22-18(25-17)21-7-11(19)9-27-2/h3-6,8,11,23H,7,9,19H2,1-2H3,(H2,20,26)(H2,21,22,24,25)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.49, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).