4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine

C18H17F2N3O — CID 44821999

IUPAC4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1C
InChIInChI=1S/C18H17F2N3O/c1-11-5-6-13(8-12(11)2)15-9-16(17(19)20)23-18(22-15)21-10-14-4-3-7-24-14/h3-9,17H,10H2,1-2H3,(H,21,22,23)
InChIKeyYEAOXMVVHOUYQC-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.90
Rot. Bonds5

About 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine

4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 44821999) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
PubChem CID44821999
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1C
InChIInChI=1S/C18H17F2N3O/c1-11-5-6-13(8-12(11)2)15-9-16(17(19)20)23-18(22-15)21-10-14-4-3-7-24-14/h3-9,17H,10H2,1-2H3,(H,21,22,23)
InChIKeyYEAOXMVVHOUYQC-UHFFFAOYSA-N
XLogP4.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(3-ethoxypropyl)pyrimidin-2-amine
CID 44821784
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936163
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine (CID 44821999) is 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1C.
What is the InChIKey of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is YEAOXMVVHOUYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-11-5-6-13(8-12(11)2)15-9-16(17(19)20)23-18(22-15)21-10-14-4-3-7-24-14/h3-9,17H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 329.35 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).