N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C21H19N7O — CID 19152855

IUPACN-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)cc1
InChIInChI=1S/C21H19N7O/c1-13(29)26-14-7-9-15(10-8-14)27-20-19(22)21(25-12-24-20)28-18-6-2-5-17-16(18)4-3-11-23-17/h2-12H,22H2,1H3,(H,26,29)(H2,24,25,27,28)
InChIKeyBWSIGOPBJRRAAO-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.05
Rot. Bonds5

About N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 19152855) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID19152855
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)cc1
InChIInChI=1S/C21H19N7O/c1-13(29)26-14-7-9-15(10-8-14)27-20-19(22)21(25-12-24-20)28-18-6-2-5-17-16(18)4-3-11-23-17/h2-12H,22H2,1H3,(H,26,29)(H2,24,25,27,28)
InChIKeyBWSIGOPBJRRAAO-UHFFFAOYSA-N
XLogP4.05
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
dimethyl 5-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547710
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
(2-acetamido-6-hydroxyphenyl)arsonic acid;N-quinolin-6-ylquinazolin-4-amine
CID 174346290

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 19152855) is N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)cc1.
What is the InChIKey of N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is BWSIGOPBJRRAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-13(29)26-14-7-9-15(10-8-14)27-20-19(22)21(25-12-24-20)28-18-6-2-5-17-16(18)4-3-11-23-17/h2-12H,22H2,1H3,(H,26,29)(H2,24,25,27,28).
What are the key properties of N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 19152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).