4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid

C14H17N3O2 — CID 139144557

IUPAC4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid
SMILESCc1cc(C)nc(N)n1.Cc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2.C6H9N3/c1-6-4-2-3-5-7(6)8(9)10;1-4-3-5(2)9-6(7)8-4/h2-5H,1H3,(H,9,10);3H,1-2H3,(H2,7,8,9)
InChIKeyYZBBTOXEEYRYFC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.37
Rot. Bonds1

About 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid

4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid (PubChem CID 139144557) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid
PubChem CID139144557
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid
SMILESCc1cc(C)nc(N)n1.Cc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2.C6H9N3/c1-6-4-2-3-5-7(6)8(9)10;1-4-3-5(2)9-6(7)8-4/h2-5H,1H3,(H,9,10);3H,1-2H3,(H2,7,8,9)
InChIKeyYZBBTOXEEYRYFC-UHFFFAOYSA-N
XLogP2.37
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethylpyrimidin-2-amine;phthalic acid
CID 68723987
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
benzoic acid;4-chloro-6-methylpyrimidin-2-amine
CID 139144561
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004
lithium;hydride;2-methylbenzoic acid;N-methylmethanamine
CID 173248738
2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine
CID 158932833
4-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylbenzoic acid
CID 22338794
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
2-amino-3-methylbenzoic acid;azane
CID 69400013
2-[[3-(2-amino-6-methylpyrimidin-4-yl)-1-methylpyrazol-4-yl]methyl]benzoic acid
CID 166101769
2-chlorobenzoic acid;4,6-dimethoxypyrimidin-2-amine
CID 139146085

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid?
The IUPAC name of 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid (CID 139144557) is 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid.
What is the SMILES notation for 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid?
The canonical SMILES for 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid is Cc1cc(C)nc(N)n1.Cc1ccccc1C(=O)O.
What is the InChIKey of 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid?
The InChIKey is YZBBTOXEEYRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H9N3/c1-6-4-2-3-5-7(6)8(9)10;1-4-3-5(2)9-6(7)8-4/h2-5H,1H3,(H,9,10);3H,1-2H3,(H2,7,8,9).
What are the key properties of 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid?
4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid is sourced from PubChem (CID 139144557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).