N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide

C21H29N5O — CID 112852847

IUPACN-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O/c1-26(2)14-8-13-22-19-15-18(21(27)23-17-11-6-7-12-17)24-20(25-19)16-9-4-3-5-10-16/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyVFNIAHSZEMBGQG-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.18
Rot. Bonds8

About N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide

N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852847) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112852847
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O/c1-26(2)14-8-13-22-19-15-18(21(27)23-17-11-6-7-12-17)24-20(25-19)16-9-4-3-5-10-16/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyVFNIAHSZEMBGQG-UHFFFAOYSA-N
XLogP3.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide (CID 112852847) is N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide is CN(C)CCCNc1cc(C(=O)NC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is VFNIAHSZEMBGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-26(2)14-8-13-22-19-15-18(21(27)23-17-11-6-7-12-17)24-20(25-19)16-9-4-3-5-10-16/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).