6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C18H14F4N4 — CID 112878677

IUPAC6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H14F4N4/c1-11-23-16(25-13-6-4-5-12(19)9-13)10-17(24-11)26-15-8-3-2-7-14(15)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyZCWCRPVQTDLBBG-UHFFFAOYSA-N
MW362.33 g/mol
LogP5.43
Rot. Bonds4

About 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112878677) has the molecular formula C18H14F4N4 and a molecular weight of 362.33 g/mol. Its IUPAC name is 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112878677
Molecular FormulaC18H14F4N4
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H14F4N4/c1-11-23-16(25-13-6-4-5-12(19)9-13)10-17(24-11)26-15-8-3-2-7-14(15)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyZCWCRPVQTDLBBG-UHFFFAOYSA-N
XLogP5.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.33
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871761
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335
2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112848302
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112878677) is 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Cc1nc(Nc2cccc(F)c2)cc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is ZCWCRPVQTDLBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4/c1-11-23-16(25-13-6-4-5-12(19)9-13)10-17(24-11)26-15-8-3-2-7-14(15)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26).
What are the key properties of 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 362.33 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112878677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).