2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C20H17N5O2S — CID 32543144

IUPAC2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1cccs1
InChIInChI=1S/C20H17N5O2S/c1-12(16-8-5-9-28-16)23-20(27)15-10-14(13-6-3-2-4-7-13)24-19-17(18(21)26)22-11-25(15)19/h2-12H,1H3,(H2,21,26)(H,23,27)/t12-/m0/s1
InChIKeyRGTYLEFIEPYXFK-LBPRGKRZSA-N
MW391.46 g/mol
LogP3.05
Rot. Bonds5

About 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide

2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 32543144) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID32543144
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1cccs1
InChIInChI=1S/C20H17N5O2S/c1-12(16-8-5-9-28-16)23-20(27)15-10-14(13-6-3-2-4-7-13)24-19-17(18(21)26)22-11-25(15)19/h2-12H,1H3,(H2,21,26)(H,23,27)/t12-/m0/s1
InChIKeyRGTYLEFIEPYXFK-LBPRGKRZSA-N
XLogP3.05
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631830
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 24631890
2-phenyl-4-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631763
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24649876
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57052620
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
4-N-(2-amino-1-cyclohexylethyl)-2-(furan-2-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 119590813

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 32543144) is 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12)c1cccs1.
What is the InChIKey of 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is RGTYLEFIEPYXFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12(16-8-5-9-28-16)23-20(27)15-10-14(13-6-3-2-4-7-13)24-19-17(18(21)26)22-11-25(15)19/h2-12H,1H3,(H2,21,26)(H,23,27)/t12-/m0/s1.
What are the key properties of 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-N-[(1S)-1-thiophen-2-ylethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 32543144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).