2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid

C12H17N3O2 — CID 64701184

IUPAC2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2ncccn2)CCCCC1
InChIInChI=1S/C12H17N3O2/c16-10(17)9-12(5-2-1-3-6-12)15-11-13-7-4-8-14-11/h4,7-8H,1-3,5-6,9H2,(H,16,17)(H,13,14,15)
InChIKeyPYLBQCCXOIKEHN-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid

2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid (PubChem CID 64701184) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
PubChem CID64701184
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2ncccn2)CCCCC1
InChIInChI=1S/C12H17N3O2/c16-10(17)9-12(5-2-1-3-6-12)15-11-13-7-4-8-14-11/h4,7-8H,1-3,5-6,9H2,(H,16,17)(H,13,14,15)
InChIKeyPYLBQCCXOIKEHN-UHFFFAOYSA-N
XLogP2.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid
CID 114788622
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545
2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
CID 105362120
2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
CID 79846026

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid (CID 64701184) is 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid is O=C(O)CC1(Nc2ncccn2)CCCCC1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid?
The InChIKey is PYLBQCCXOIKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-10(17)9-12(5-2-1-3-6-12)15-11-13-7-4-8-14-11/h4,7-8H,1-3,5-6,9H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid?
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid has a molecular weight of 235.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64701184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).