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

C14H15N3O4 — CID 68723987

IUPAC4,6-dimethylpyrimidin-2-amine;phthalic acid
SMILESCc1cc(C)nc(N)n1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H9N3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-3-5(2)9-6(7)8-4/h1-4H,(H,9,10)(H,11,12);3H,1-2H3,(H2,7,8,9)
InChIKeyUMHZUKIMNYGESK-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.76
Rot. Bonds2

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

4,6-dimethylpyrimidin-2-amine;phthalic acid (PubChem CID 68723987) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-2-amine;phthalic acid.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-2-amine;phthalic acid
PubChem CID68723987
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4,6-dimethylpyrimidin-2-amine;phthalic acid
SMILESCc1cc(C)nc(N)n1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H9N3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-3-5(2)9-6(7)8-4/h1-4H,(H,9,10)(H,11,12);3H,1-2H3,(H2,7,8,9)
InChIKeyUMHZUKIMNYGESK-UHFFFAOYSA-N
XLogP1.76
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid
CID 139144557
benzoic acid;4-chloro-6-methylpyrimidin-2-amine
CID 139144561
2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine
CID 158932833
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
phthalic acid;toluene
CID 174855044
2-[[3-(2-amino-6-methylpyrimidin-4-yl)-1-methylpyrazol-4-yl]methyl]benzoic acid
CID 166101769
naphthalene;phthalic acid
CID 158069637
phthalic acid;silicic acid
CID 159320374
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-2-amine;phthalic acid?
The IUPAC name of 4,6-dimethylpyrimidin-2-amine;phthalic acid (CID 68723987) is 4,6-dimethylpyrimidin-2-amine;phthalic acid.
What is the SMILES notation for 4,6-dimethylpyrimidin-2-amine;phthalic acid?
The canonical SMILES for 4,6-dimethylpyrimidin-2-amine;phthalic acid is Cc1cc(C)nc(N)n1.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 4,6-dimethylpyrimidin-2-amine;phthalic acid?
The InChIKey is UMHZUKIMNYGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H9N3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-3-5(2)9-6(7)8-4/h1-4H,(H,9,10)(H,11,12);3H,1-2H3,(H2,7,8,9).
What are the key properties of 4,6-dimethylpyrimidin-2-amine;phthalic acid?
4,6-dimethylpyrimidin-2-amine;phthalic acid has a molecular weight of 289.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-2-amine;phthalic acid is sourced from PubChem (CID 68723987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).