2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide

C21H25N5O2 — CID 42928439

IUPAC2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C21H25N5O2/c1-13(16-7-5-4-6-8-16)11-23-18(27)10-9-17-14(2)25-21-19(20(22)28)24-12-26(21)15(17)3/h4-8,12-13H,9-11H2,1-3H3,(H2,22,28)(H,23,27)
InChIKeyAIYZGCARULLAJW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.30
Rot. Bonds7

About 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide

2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 42928439) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID42928439
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C21H25N5O2/c1-13(16-7-5-4-6-8-16)11-23-18(27)10-9-17-14(2)25-21-19(20(22)28)24-12-26(21)15(17)3/h4-8,12-13H,9-11H2,1-3H3,(H2,22,28)(H,23,27)
InChIKeyAIYZGCARULLAJW-UHFFFAOYSA-N
XLogP2.30
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 25470364
3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 25497232
3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 41248653
3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide
CID 20863883
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 95068834
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 8534050
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-3-phenylbutyl]propanamide
CID 52508735
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
ethyl 1,2,4-trimethyl-5-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]pyrrole-3-carboxylate
CID 95074934
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 42928439) is 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is AIYZGCARULLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(16-7-5-4-6-8-16)11-23-18(27)10-9-17-14(2)25-21-19(20(22)28)24-12-26(21)15(17)3/h4-8,12-13H,9-11H2,1-3H3,(H2,22,28)(H,23,27).
What are the key properties of 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 42928439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).