6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid

C11H15N3O2 — CID 129353783

IUPAC6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESC[C@H]1CCCCN1c1cc(C(=O)O)ncn1
InChIInChI=1S/C11H15N3O2/c1-8-4-2-3-5-14(8)10-6-9(11(15)16)12-7-13-10/h6-8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyPSKHGXUVEVQJCQ-QMMMGPOBSA-N
MW221.26 g/mol
LogP1.55
Rot. Bonds2

About 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid

6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 129353783) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID129353783
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESC[C@H]1CCCCN1c1cc(C(=O)O)ncn1
InChIInChI=1S/C11H15N3O2/c1-8-4-2-3-5-14(8)10-6-9(11(15)16)12-7-13-10/h6-8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyPSKHGXUVEVQJCQ-QMMMGPOBSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 66520649
6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80835319
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone
CID 7692472
5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 115490753
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093333
N-cyclopentyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109341455
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid (CID 129353783) is 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid is C[C@H]1CCCCN1c1cc(C(=O)O)ncn1.
What is the InChIKey of 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is PSKHGXUVEVQJCQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-4-2-3-5-14(8)10-6-9(11(15)16)12-7-13-10/h6-8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid?
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 129353783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).