4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine

C17H16N4O3 — CID 67150282

IUPAC4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine
SMILESCc1cc(-c2cccnc2)nc(N)n1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C10H10N4.C7H6O3/c1-7-5-9(14-10(11)13-7)8-3-2-4-12-6-8;8-6-3-1-5(2-4-6)7(9)10/h2-6H,1H3,(H2,11,13,14);1-4,8H,(H,9,10)
InChIKeyYMMNNKMCFUBAQQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.52
Rot. Bonds2

About 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine

4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine (PubChem CID 67150282) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine
PubChem CID67150282
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine
SMILESCc1cc(-c2cccnc2)nc(N)n1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C10H10N4.C7H6O3/c1-7-5-9(14-10(11)13-7)8-3-2-4-12-6-8;8-6-3-1-5(2-4-6)7(9)10/h2-6H,1H3,(H2,11,13,14);1-4,8H,(H,9,10)
InChIKeyYMMNNKMCFUBAQQ-UHFFFAOYSA-N
XLogP2.52
TPSA122.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine (CID 67150282) is 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine is Cc1cc(-c2cccnc2)nc(N)n1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is YMMNNKMCFUBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4.C7H6O3/c1-7-5-9(14-10(11)13-7)8-3-2-4-12-6-8;8-6-3-1-5(2-4-6)7(9)10/h2-6H,1H3,(H2,11,13,14);1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine?
4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 324.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;4-methyl-6-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 67150282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).