2-(cyclopentylamino)pyrimidine-4-carboxylic acid

C10H13N3O2 — CID 91076843

IUPAC2-(cyclopentylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-5-6-11-10(13-8)12-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyQVDXXEBOFOFVLW-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.53
Rot. Bonds3

About 2-(cyclopentylamino)pyrimidine-4-carboxylic acid

2-(cyclopentylamino)pyrimidine-4-carboxylic acid (PubChem CID 91076843) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(cyclopentylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)pyrimidine-4-carboxylic acid
PubChem CID91076843
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(cyclopentylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-5-6-11-10(13-8)12-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyQVDXXEBOFOFVLW-UHFFFAOYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298654
[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(cyclopentylamino)pyrimidine-4-carboxylic acid (CID 91076843) is 2-(cyclopentylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopentylamino)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
The InChIKey is QVDXXEBOFOFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)8-5-6-11-10(13-8)12-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-(cyclopentylamino)pyrimidine-4-carboxylic acid?
2-(cyclopentylamino)pyrimidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 91076843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).