4,6-bis(3-methylphenyl)pyrimidin-2-amine

C18H17N3 — CID 75360131

IUPAC4,6-bis(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c1
InChIInChI=1S/C18H17N3/c1-12-5-3-7-14(9-12)16-11-17(21-18(19)20-16)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyZPQZQDCHDUKYGM-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.01
Rot. Bonds2

About 4,6-bis(3-methylphenyl)pyrimidin-2-amine

4,6-bis(3-methylphenyl)pyrimidin-2-amine (PubChem CID 75360131) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4,6-bis(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(3-methylphenyl)pyrimidin-2-amine
PubChem CID75360131
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4,6-bis(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c1
InChIInChI=1S/C18H17N3/c1-12-5-3-7-14(9-12)16-11-17(21-18(19)20-16)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyZPQZQDCHDUKYGM-UHFFFAOYSA-N
XLogP4.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(3-methylphenyl)pyrimidin-2-amine (CID 75360131) is 4,6-bis(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c1.
What is the InChIKey of 4,6-bis(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is ZPQZQDCHDUKYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-12-5-3-7-14(9-12)16-11-17(21-18(19)20-16)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H2,19,20,21).
What are the key properties of 4,6-bis(3-methylphenyl)pyrimidin-2-amine?
4,6-bis(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75360131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).