2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine

C12H16N4 — CID 152752050

IUPAC2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cccc(C2(N)N=C(N)C=CN2)c1C
InChIInChI=1S/C12H16N4/c1-8-4-3-5-10(9(8)2)12(14)15-7-6-11(13)16-12/h3-7,15H,14H2,1-2H3,(H2,13,16)
InChIKeyLENCIICBAFBJJX-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.85
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine

2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine (PubChem CID 152752050) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine
PubChem CID152752050
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine
SMILESCc1cccc(C2(N)N=C(N)C=CN2)c1C
InChIInChI=1S/C12H16N4/c1-8-4-3-5-10(9(8)2)12(14)15-7-6-11(13)16-12/h3-7,15H,14H2,1-2H3,(H2,13,16)
InChIKeyLENCIICBAFBJJX-UHFFFAOYSA-N
XLogP0.85
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine (CID 152752050) is 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine is Cc1cccc(C2(N)N=C(N)C=CN2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is LENCIICBAFBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-4-3-5-10(9(8)2)12(14)15-7-6-11(13)16-12/h3-7,15H,14H2,1-2H3,(H2,13,16).
What are the key properties of 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152752050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).