2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide

C21H26N6O2 — CID 25470364

IUPAC2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C21H26N6O2/c1-14-17(15(2)27-13-24-19(20(22)29)21(27)25-14)9-10-18(28)23-11-12-26(3)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H2,22,29)(H,23,28)
InChIKeyXUJUPBKOJPFVMH-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.63
Rot. Bonds8

About 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide

2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 25470364) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID25470364
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C21H26N6O2/c1-14-17(15(2)27-13-24-19(20(22)29)21(27)25-14)9-10-18(28)23-11-12-26(3)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H2,22,29)(H,23,28)
InChIKeyXUJUPBKOJPFVMH-UHFFFAOYSA-N
XLogP1.63
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 42928439
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-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(N-methylanilino)ethyl]propanamide
CID 31688293
N-[3-(N-methylanilino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51305394
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736922

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 25470364) is 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is XUJUPBKOJPFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-17(15(2)27-13-24-19(20(22)29)21(27)25-14)9-10-18(28)23-11-12-26(3)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H2,22,29)(H,23,28).
What are the key properties of 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 25470364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).