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

C19H23N7O2 — CID 161460931

IUPAC2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)C[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3c(c2)CC=N3)n1)C(N)=O
InChIInChI=1S/C19H23N7O2/c1-10(2)7-15(17(21)28)25-19-23-9-13(16(20)27)18(26-19)24-12-3-4-14-11(8-12)5-6-22-14/h3-4,6,8-10,15H,5,7H2,1-2H3,(H2,20,27)(H2,21,28)(H2,23,24,25,26)/t15-/m1/s1
InChIKeyWBUKKOIJVFGSRJ-OAHLLOKOSA-N
MW381.44 g/mol
LogP1.89
Rot. Bonds8

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

2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide (PubChem CID 161460931) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide
PubChem CID161460931
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)C[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3c(c2)CC=N3)n1)C(N)=O
InChIInChI=1S/C19H23N7O2/c1-10(2)7-15(17(21)28)25-19-23-9-13(16(20)27)18(26-19)24-12-3-4-14-11(8-12)5-6-22-14/h3-4,6,8-10,15H,5,7H2,1-2H3,(H2,20,27)(H2,21,28)(H2,23,24,25,26)/t15-/m1/s1
InChIKeyWBUKKOIJVFGSRJ-OAHLLOKOSA-N
XLogP1.89
TPSA148.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1,3-benzothiazol-6-ylamino)pyrimidine-5-carboxamide
CID 67003038
4-[4-(2-acetamidoethylamino)anilino]-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]pyrimidine-5-carboxamide
CID 70952856
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57480312
2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(4-morpholin-4-ylsulfonylanilino)pyrimidine-5-carboxamide
CID 59199881
[3-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-carbamoylpyrimidin-4-yl]amino]phenyl]-(2-iminoethylideneamino)azanium
CID 147655393
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
CID 67002554
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide
CID 72704858
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(1H-indol-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097876
4-[4-(4-acetylpiperazin-1-yl)anilino]-2-[(5-amino-4-methyl-5-oxopentan-2-yl)amino]pyrimidine-5-carboxamide
CID 67184791
2-[(5-amino-4-methylpentan-2-yl)amino]-4-(3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide
CID 67184553
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199511

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide (CID 161460931) is 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide is CC(C)C[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3c(c2)CC=N3)n1)C(N)=O.
What is the InChIKey of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide?
The InChIKey is WBUKKOIJVFGSRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-10(2)7-15(17(21)28)25-19-23-9-13(16(20)27)18(26-19)24-12-3-4-14-11(8-12)5-6-22-14/h3-4,6,8-10,15H,5,7H2,1-2H3,(H2,20,27)(H2,21,28)(H2,23,24,25,26)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide?
2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3H-indol-5-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 161460931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).