1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one

C21H26N6O — CID 175884083

IUPAC1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc(-c3ccc(N)cc3)n3c(N)nccc23)CC1
InChIInChI=1S/C21H26N6O/c1-13(2)20(28)26-11-8-14(9-12-26)18-17-7-10-24-21(23)27(17)19(25-18)15-3-5-16(22)6-4-15/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H2,23,24)
InChIKeyVVYQJSYUGKEOLL-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.92
Rot. Bonds3

About 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 175884083) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID175884083
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc(-c3ccc(N)cc3)n3c(N)nccc23)CC1
InChIInChI=1S/C21H26N6O/c1-13(2)20(28)26-11-8-14(9-12-26)18-17-7-10-24-21(23)27(17)19(25-18)15-3-5-16(22)6-4-15/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H2,23,24)
InChIKeyVVYQJSYUGKEOLL-UHFFFAOYSA-N
XLogP2.92
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
2-[4-[5-amino-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134265188
2-[[5-[5-amino-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 175409455
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-[4-[3-amino-4-(4-aminophenyl)-1-methylindazol-6-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 175884172
6-[5-amino-1-(1-but-2-ynoylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-(4-cyano-2-pyridinyl)pyridine-3-carboxamide
CID 134264510
1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
CID 176811840
1-[3-[5-amino-3-(2-fluoro-4-pyridin-2-yloxyphenyl)imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 134265173
4-[5-amino-1-(1-but-2-ynoylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-3-cyano-N-(4-cyano-2-pyridinyl)benzamide
CID 134264580
1-[4-[2-(dimethylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 92618137
1-[3-[5-amino-3-[2-chloro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 134265136
5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 175882942

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 175884083) is 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2nc(-c3ccc(N)cc3)n3c(N)nccc23)CC1.
What is the InChIKey of 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VVYQJSYUGKEOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-13(2)20(28)26-11-8-14(9-12-26)18-17-7-10-24-21(23)27(17)19(25-18)15-3-5-16(22)6-4-15/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H2,23,24).
What are the key properties of 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 378.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-3-(4-aminophenyl)imidazo[1,5-c]pyrimidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 175884083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).