1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid

C14H21N3O2 — CID 115433253

IUPAC1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCc1cc(NCC2(C(=O)O)CCCC2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-5-11-8-12(17-10-16-11)15-9-14(13(18)19)6-3-4-7-14/h8,10H,2-7,9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyYMGPOIROZTWRHN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds6

About 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433253) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433253
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCc1cc(NCC2(C(=O)O)CCCC2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-5-11-8-12(17-10-16-11)15-9-14(13(18)19)6-3-4-7-14/h8,10H,2-7,9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyYMGPOIROZTWRHN-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443640
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 65110996
2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64701746
N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 114125912
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 112697562
N-propyl-2-[(6-propylpyrimidin-4-yl)amino]acetamide
CID 61240529
N-[1-(chloromethyl)cyclopentyl]-6-propylpyrimidin-4-amine
CID 65028976
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
1-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 114474633
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433384

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115433253) is 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid is CCCc1cc(NCC2(C(=O)O)CCCC2)ncn1.
What is the InChIKey of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YMGPOIROZTWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-5-11-8-12(17-10-16-11)15-9-14(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 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).