4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine

C11H14N4 — CID 154178295

IUPAC4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine
SMILESCC1(N)C=C(c2ccccc2)NC(N)=N1
InChIInChI=1S/C11H14N4/c1-11(13)7-9(14-10(12)15-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3,(H3,12,14,15)
InChIKeyFBKXYMQITJOHCW-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.62
Rot. Bonds1

About 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine

4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine (PubChem CID 154178295) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine
PubChem CID154178295
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine
SMILESCC1(N)C=C(c2ccccc2)NC(N)=N1
InChIInChI=1S/C11H14N4/c1-11(13)7-9(14-10(12)15-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3,(H3,12,14,15)
InChIKeyFBKXYMQITJOHCW-UHFFFAOYSA-N
XLogP0.62
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine (CID 154178295) is 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine is CC1(N)C=C(c2ccccc2)NC(N)=N1.
What is the InChIKey of 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine?
The InChIKey is FBKXYMQITJOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(13)7-9(14-10(12)15-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3,(H3,12,14,15).
What are the key properties of 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine?
4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154178295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).