4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

C18H16F2N4 — CID 3245232

IUPAC4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C18H16F2N4/c1-12-4-6-14(7-5-12)15-9-16(17(19)20)24-18(23-15)22-11-13-3-2-8-21-10-13/h2-10,17H,11H2,1H3,(H,22,23,24)
InChIKeyFHOQXIXVIMXNML-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.40
Rot. Bonds5

About 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 3245232) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID3245232
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C18H16F2N4/c1-12-4-6-14(7-5-12)15-9-16(17(19)20)24-18(23-15)22-11-13-3-2-8-21-10-13/h2-10,17H,11H2,1H3,(H,22,23,24)
InChIKeyFHOQXIXVIMXNML-UHFFFAOYSA-N
XLogP4.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 3245232) is 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C(F)F)nc(NCc3cccnc3)n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is FHOQXIXVIMXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-12-4-6-14(7-5-12)15-9-16(17(19)20)24-18(23-15)22-11-13-3-2-8-21-10-13/h2-10,17H,11H2,1H3,(H,22,23,24).
What are the key properties of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 326.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 3245232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).