4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

C20H19F2N3O — CID 17388340

IUPAC4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(C)cc3)cc(C(F)F)n2)cc1
InChIInChI=1S/C20H19F2N3O/c1-13-3-7-15(8-4-13)17-11-18(19(21)22)25-20(24-17)23-12-14-5-9-16(26-2)10-6-14/h3-11,19H,12H2,1-2H3,(H,23,24,25)
InChIKeyMMAVVYXQGILRCC-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.01
Rot. Bonds6

About 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine

4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 17388340) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine
PubChem CID17388340
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(C)cc3)cc(C(F)F)n2)cc1
InChIInChI=1S/C20H19F2N3O/c1-13-3-7-15(8-4-13)17-11-18(19(21)22)25-20(24-17)23-12-14-5-9-16(26-2)10-6-14/h3-11,19H,12H2,1-2H3,(H,23,24,25)
InChIKeyMMAVVYXQGILRCC-UHFFFAOYSA-N
XLogP5.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine (CID 17388340) is 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine is COc1ccc(CNc2nc(-c3ccc(C)cc3)cc(C(F)F)n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is MMAVVYXQGILRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-13-3-7-15(8-4-13)17-11-18(19(21)22)25-20(24-17)23-12-14-5-9-16(26-2)10-6-14/h3-11,19H,12H2,1-2H3,(H,23,24,25).
What are the key properties of 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine?
4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 355.39 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 17388340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).