4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid

C14H15N3O2 — CID 62551555

IUPAC4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid
SMILESCCCc1nc(Cc2cccnc2)ncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-2-4-12-11(14(18)19)9-16-13(17-12)7-10-5-3-6-15-8-10/h3,5-6,8-9H,2,4,7H2,1H3,(H,18,19)
InChIKeyVQRNNEKSHPLOSH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds5

About 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid

4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 62551555) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid
PubChem CID62551555
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid
SMILESCCCc1nc(Cc2cccnc2)ncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-2-4-12-11(14(18)19)9-16-13(17-12)7-10-5-3-6-15-8-10/h3,5-6,8-9H,2,4,7H2,1H3,(H,18,19)
InChIKeyVQRNNEKSHPLOSH-UHFFFAOYSA-N
XLogP2.11
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363
4-propyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
CID 79964753
2-[(2-methylphenyl)sulfanylmethyl]-4-propylpyrimidine-5-carboxylic acid
CID 66098244
2-[(2-fluorophenyl)sulfanylmethyl]-4-propylpyrimidine-5-carboxylic acid
CID 66052139
4-methyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551774
1-methyl-5-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 166202894
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66299480
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid
CID 158792112
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 114289848
3-[2,5-dimethyl-3,6-dioxo-4-(pyridin-3-ylmethyl)cyclohexa-1,4-dien-1-yl]propanoic acid
CID 14894867

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid (CID 62551555) is 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid is CCCc1nc(Cc2cccnc2)ncc1C(=O)O.
What is the InChIKey of 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is VQRNNEKSHPLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-4-12-11(14(18)19)9-16-13(17-12)7-10-5-3-6-15-8-10/h3,5-6,8-9H,2,4,7H2,1H3,(H,18,19).
What are the key properties of 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid?
4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62551555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).