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

C16H19F2N3O — CID 171315003

IUPAC4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1
InChIInChI=1S/C16H19F2N3O/c1-10-4-5-12(8-11(10)2)13-9-14(15(17)18)21-16(20-13)19-6-7-22-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,19,20,21)
InChIKeySWOWCWLKECAWAT-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.76
Rot. Bonds6

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

4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 171315003) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID171315003
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1
InChIInChI=1S/C16H19F2N3O/c1-10-4-5-12(8-11(10)2)13-9-14(15(17)18)21-16(20-13)19-6-7-22-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,19,20,21)
InChIKeySWOWCWLKECAWAT-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
4-(3-(Pentan-3-ylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 11703527
4-(3-(Tert-butylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 46866398
4-(4-Methyl-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile
CID 49862471
4-(3-(2,2,2-Trifluoroethylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 52941058
4-(3-(2-Methoxyethylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 52942200
4-(3-Morpholinopropyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 52945849
6-(2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189190
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
4-(4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl)morpholine
CID 891729
(Oxolan-2-ylmethyl)[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amine
CID 2985365
N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234309

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine (CID 171315003) is 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is SWOWCWLKECAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-10-4-5-12(8-11(10)2)13-9-14(15(17)18)21-16(20-13)19-6-7-22-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 307.34 g/mol, XLogP of 3.76, 6 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-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 171315003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).