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

C18H22N4O2 — CID 56767469

IUPAC1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1nc(-c2ccccn2)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C18H22N4O2/c1-12(2)17-20-14(13-7-3-5-9-19-13)11-16(21-17)22-10-6-4-8-15(22)18(23)24/h3,5,7,9,11-12,15H,4,6,8,10H2,1-2H3,(H,23,24)
InChIKeyFWMGGFPNZRXTCO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds4

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

1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 56767469) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID56767469
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1nc(-c2ccccn2)cc(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C18H22N4O2/c1-12(2)17-20-14(13-7-3-5-9-19-13)11-16(21-17)22-10-6-4-8-15(22)18(23)24/h3,5,7,9,11-12,15H,4,6,8,10H2,1-2H3,(H,23,24)
InChIKeyFWMGGFPNZRXTCO-UHFFFAOYSA-N
XLogP3.11
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 56767469) is 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is CC(C)c1nc(-c2ccccn2)cc(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is FWMGGFPNZRXTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)17-20-14(13-7-3-5-9-19-13)11-16(21-17)22-10-6-4-8-15(22)18(23)24/h3,5,7,9,11-12,15H,4,6,8,10H2,1-2H3,(H,23,24).
What are the key properties of 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-6-pyridin-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 56767469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).