4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine

C15H16F3N3O — CID 44821612

IUPAC4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C15H16F3N3O/c1-22-8-2-7-19-15-20-12(9-13(21-15)14(17)18)10-3-5-11(16)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,19,20,21)
InChIKeyQERSGICWHRTIID-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.67
Rot. Bonds7

About 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine

4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine (PubChem CID 44821612) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine
PubChem CID44821612
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C15H16F3N3O/c1-22-8-2-7-19-15-20-12(9-13(21-15)14(17)18)10-3-5-11(16)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,19,20,21)
InChIKeyQERSGICWHRTIID-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.67
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-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(3-ethoxypropyl)pyrimidin-2-amine
CID 44821784
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
[4-(difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-yl]hydrazine
CID 7018671
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44821712
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935316
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945
[2-(4-fluorophenyl)-3-[2-(3-methoxypropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824528
N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
4-N-(3-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935319
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
CID 112935296
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine (CID 44821612) is 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine is COCCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The InChIKey is QERSGICWHRTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-22-8-2-7-19-15-20-12(9-13(21-15)14(17)18)10-3-5-11(16)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,19,20,21).
What are the key properties of 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine has a molecular weight of 311.31 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 44821612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).