2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid

C14H21N3O2 — CID 64701746

IUPAC2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESCCCc1cc(NC2(CC(=O)O)CCCC2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-5-11-8-12(16-10-15-11)17-14(9-13(18)19)6-3-4-7-14/h8,10H,2-7,9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyXCZAIOFSFSTGSN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds6

About 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid

2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid (PubChem CID 64701746) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
PubChem CID64701746
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESCCCc1cc(NC2(CC(=O)O)CCCC2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-5-11-8-12(16-10-15-11)17-14(9-13(18)19)6-3-4-7-14/h8,10H,2-7,9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyXCZAIOFSFSTGSN-UHFFFAOYSA-N
XLogP2.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]-6-propylpyrimidin-4-amine
CID 65028976
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433253
N-[4-(chloromethyl)oxan-4-yl]-6-propylpyrimidin-4-amine
CID 114170441
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 65110996
2-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64700972
2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopropyl]acetic acid
CID 137262435
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 66286602
1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443640
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid (CID 64701746) is 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid is CCCc1cc(NC2(CC(=O)O)CCCC2)ncn1.
What is the InChIKey of 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The InChIKey is XCZAIOFSFSTGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-5-11-8-12(16-10-15-11)17-14(9-13(18)19)6-3-4-7-14/h8,10H,2-7,9H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid?
2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).