4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid

C16H17N3O2 — CID 116640865

IUPAC4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
SMILESNc1nc(C2(c3ccccc3)CCCC2)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c17-13-12(14(20)21)10-18-15(19-13)16(8-4-5-9-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,20,21)(H2,17,18,19)
InChIKeyIHRATXYBZBRVQS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid

4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid (PubChem CID 116640865) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
PubChem CID116640865
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
SMILESNc1nc(C2(c3ccccc3)CCCC2)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c17-13-12(14(20)21)10-18-15(19-13)16(8-4-5-9-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,20,21)(H2,17,18,19)
InChIKeyIHRATXYBZBRVQS-UHFFFAOYSA-N
XLogP2.62
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(1-phenylcyclobutyl)pyrimidine-5-carboxylic acid
CID 63080630
2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 63080980
2-(1-phenylcyclopropyl)-4-propylpyrimidine-5-carboxylic acid
CID 63080465
4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-amine
CID 114207036
5-(aminomethyl)-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 64574343
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
5-bromo-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
CID 106512114
methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
CID 143562143
2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 63080790
2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 63079037
1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine
CID 63079527
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid (CID 116640865) is 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid is Nc1nc(C2(c3ccccc3)CCCC2)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
The InChIKey is IHRATXYBZBRVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-13-12(14(20)21)10-18-15(19-13)16(8-4-5-9-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,20,21)(H2,17,18,19).
What are the key properties of 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid?
4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).