2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide

C16H16Cl2N4O — CID 109298018

IUPAC2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H16Cl2N4O/c17-10-7-11(18)9-13(8-10)20-15(23)14-5-6-19-16(22-14)21-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,20,23)(H,19,21,22)
InChIKeyUWCVNNIIHHWJEM-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.39
Rot. Bonds4

About 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109298018) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID109298018
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H16Cl2N4O/c17-10-7-11(18)9-13(8-10)20-15(23)14-5-6-19-16(22-14)21-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,20,23)(H,19,21,22)
InChIKeyUWCVNNIIHHWJEM-UHFFFAOYSA-N
XLogP4.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide (CID 109298018) is 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is UWCVNNIIHHWJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-10-7-11(18)9-13(8-10)20-15(23)14-5-6-19-16(22-14)21-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).