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

C14H15N3O2 — CID 55086619

IUPAC4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
SMILESCCCc1nc(Cc2ccncc2)ncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-2-3-12-11(14(18)19)9-16-13(17-12)8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,18,19)
InChIKeyFMISXNORLFVJGQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds5

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

4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 55086619) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
PubChem CID55086619
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
SMILESCCCc1nc(Cc2ccncc2)ncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-2-3-12-11(14(18)19)9-16-13(17-12)8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,18,19)
InChIKeyFMISXNORLFVJGQ-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-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551555
4-methyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551774
4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363
2-butyl-4-propylpyrimidine-5-carboxylic acid
CID 79412122
4-propyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
CID 79964753
ethyl 4-(chloromethyl)-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973439
2-[(2-methylphenyl)sulfanylmethyl]-4-propylpyrimidine-5-carboxylic acid
CID 66098244
2-butyl-4-ethylpyrimidine-5-carboxylic acid
CID 79412123
2-[(2-fluorophenyl)sulfanylmethyl]-4-propylpyrimidine-5-carboxylic acid
CID 66052139
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
2-(1-phenylcyclopropyl)-4-propylpyrimidine-5-carboxylic acid
CID 63080465
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylic acid
CID 103476099

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid (CID 55086619) is 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid is CCCc1nc(Cc2ccncc2)ncc1C(=O)O.
What is the InChIKey of 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is FMISXNORLFVJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-3-12-11(14(18)19)9-16-13(17-12)8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid?
4-propyl-2-(pyridin-4-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-4-ylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 55086619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).