1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid

C14H21N3O2 — CID 110277695

IUPAC1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1nc(C(C)C)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)11-8-13(16-10(3)15-11)17-7-5-4-6-12(17)14(18)19/h8-9,12H,4-7H2,1-3H3,(H,18,19)
InChIKeyNRPGYXOGNOIGLB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid

1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 110277695) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID110277695
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1nc(C(C)C)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)11-8-13(16-10(3)15-11)17-7-5-4-6-12(17)14(18)19/h8-9,12H,4-7H2,1-3H3,(H,18,19)
InChIKeyNRPGYXOGNOIGLB-UHFFFAOYSA-N
XLogP2.35
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122051785
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 95928534
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767469
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 110277695) is 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1nc(C(C)C)cc(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is NRPGYXOGNOIGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)11-8-13(16-10(3)15-11)17-7-5-4-6-12(17)14(18)19/h8-9,12H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 110277695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).