3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

C19H20FN5O2 — CID 25497232

IUPAC3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCc1ccccc1F
InChIInChI=1S/C19H20FN5O2/c1-11-14(12(2)25-10-23-17(18(21)27)19(25)24-11)7-8-16(26)22-9-13-5-3-4-6-15(13)20/h3-6,10H,7-9H2,1-2H3,(H2,21,27)(H,22,26)
InChIKeyYNLXNGUMYREFHN-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.83
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 25497232) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID25497232
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCc1ccccc1F
InChIInChI=1S/C19H20FN5O2/c1-11-14(12(2)25-10-23-17(18(21)27)19(25)24-11)7-8-16(26)22-9-13-5-3-4-6-15(13)20/h3-6,10H,7-9H2,1-2H3,(H2,21,27)(H,22,26)
InChIKeyYNLXNGUMYREFHN-UHFFFAOYSA-N
XLogP1.83
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 41248653
2,4-dimethyl-3-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 25470364
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8632671
5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1499206
6-[3-(2,6-difluoroanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52621976
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55894919
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46673381
1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517685
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
CID 91788479

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 25497232) is 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCc1ccccc1F.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is YNLXNGUMYREFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11-14(12(2)25-10-23-17(18(21)27)19(25)24-11)7-8-16(26)22-9-13-5-3-4-6-15(13)20/h3-6,10H,7-9H2,1-2H3,(H2,21,27)(H,22,26).
What are the key properties of 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 25497232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).