2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid

C15H17N3O2 — CID 114878657

IUPAC2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid
SMILESCc1ccncc1-c1nc(C)c(C(C)C(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-8-5-6-16-7-12(8)14-17-10(3)13(11(4)18-14)9(2)15(19)20/h5-7,9H,1-4H3,(H,19,20)
InChIKeyHSZFPERCAQZRDV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds3

About 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid

2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid (PubChem CID 114878657) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid
PubChem CID114878657
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid
SMILESCc1ccncc1-c1nc(C)c(C(C)C(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-8-5-6-16-7-12(8)14-17-10(3)13(11(4)18-14)9(2)15(19)20/h5-7,9H,1-4H3,(H,19,20)
InChIKeyHSZFPERCAQZRDV-UHFFFAOYSA-N
XLogP2.65
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 114879069
2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
CID 104790501
2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 114878680
2-[4,6-dimethyl-2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]propanoic acid
CID 63553482
2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62095858
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
CID 81008054
2-[2-(3-bromo-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 82789431
(1S,6R)-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104982366
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
N-[2-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 45235273
2-[2-methyl-6-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 174676589

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid (CID 114878657) is 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid is Cc1ccncc1-c1nc(C)c(C(C)C(=O)O)c(C)n1.
What is the InChIKey of 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is HSZFPERCAQZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-5-6-16-7-12(8)14-17-10(3)13(11(4)18-14)9(2)15(19)20/h5-7,9H,1-4H3,(H,19,20).
What are the key properties of 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 114878657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).