2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide

C22H22N4O2 — CID 109298011

IUPAC2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C22H22N4O2/c27-21(19-14-15-23-22(26-19)24-16-8-4-5-9-16)25-18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H,25,27)(H,23,24,26)
InChIKeyRENOEKUVGMGVAS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.88
Rot. Bonds6

About 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109298011) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109298011
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C22H22N4O2/c27-21(19-14-15-23-22(26-19)24-16-8-4-5-9-16)25-18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H,25,27)(H,23,24,26)
InChIKeyRENOEKUVGMGVAS-UHFFFAOYSA-N
XLogP4.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300853
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031
2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
5-(cyclohexylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109226974
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (CID 109298011) is 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is RENOEKUVGMGVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(19-14-15-23-22(26-19)24-16-8-4-5-9-16)25-18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H,25,27)(H,23,24,26).
What are the key properties of 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).