1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

C11H16N4O2 — CID 170002097

IUPAC1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cnc(N2CCC(C(=O)O)CC2)nc1N
InChIInChI=1S/C11H16N4O2/c1-7-6-13-11(14-9(7)12)15-4-2-8(3-5-15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyDRYSPWZPKJRZGB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 170002097) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID170002097
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cnc(N2CCC(C(=O)O)CC2)nc1N
InChIInChI=1S/C11H16N4O2/c1-7-6-13-11(14-9(7)12)15-4-2-8(3-5-15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyDRYSPWZPKJRZGB-UHFFFAOYSA-N
XLogP0.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901181
1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
CID 155415211
1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
CID 57407163
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 75436364
1-(4-ethynylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002296
ethyl 1-[4-amino-5-(benzylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 53143945
(3S)-1-[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95397635
[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 56873653
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide
CID 136518722

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 170002097) is 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1cnc(N2CCC(C(=O)O)CC2)nc1N.
What is the InChIKey of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is DRYSPWZPKJRZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-6-13-11(14-9(7)12)15-4-2-8(3-5-15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 170002097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).