N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H20ClN3O — CID 121329941

IUPACN-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)(C)c3ccccc3Cl)c2n1
InChIInChI=1S/C19H20ClN3O/c1-12-11-13(2)23-10-9-14(17(23)21-12)18(24)22-19(3,4)15-7-5-6-8-16(15)20/h5-11H,1-4H3,(H,22,24)
InChIKeyWVDJEGQQSUURMN-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.27
Rot. Bonds3

About N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121329941) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121329941
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)(C)c3ccccc3Cl)c2n1
InChIInChI=1S/C19H20ClN3O/c1-12-11-13(2)23-10-9-14(17(23)21-12)18(24)22-19(3,4)15-7-5-6-8-16(15)20/h5-11H,1-4H3,(H,22,24)
InChIKeyWVDJEGQQSUURMN-UHFFFAOYSA-N
XLogP4.27
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide 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

2-(4-chlorophenyl)-2-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]acetic acid
CID 166369066
2,4-dimethyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121318214
2,4-dimethyl-N-(9-oxofluoren-2-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146432447
2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 145078607
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991
2,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330076
2,4-dimethyl-N-(1-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330053
2,4-dimethyl-N-(4-methyl-2,3-dihydrochromen-4-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330262
N-(2,3-dihydro-1-benzofuran-4-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146432138
3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoic acid
CID 146431982
N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330122
N-(3,6-dimethyl-2H-1,3-benzothiazol-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 155372437

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121329941) is N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC(C)(C)c3ccccc3Cl)c2n1.
What is the InChIKey of N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is WVDJEGQQSUURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12-11-13(2)23-10-9-14(17(23)21-12)18(24)22-19(3,4)15-7-5-6-8-16(15)20/h5-11H,1-4H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)propan-2-yl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121329941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).