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2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H14F4N4O — CID 141339195

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)c2cc(F)ccc2OC)ncc1C(F)(F)F
InChIInChI=1S/C14H14F4N4O/c1-19-12-9(14(16,17)18)7-20-13(21-12)22(2)10-6-8(15)4-5-11(10)23-3/h4-7H,1-3H3,(H,19,20,21)
InChIKeyZHKBIANOVWTNEB-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.45
Rot. Bonds4

About 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 141339195) has the molecular formula C14H14F4N4O and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID141339195
Molecular FormulaC14H14F4N4O
Molecular Weight330.29 g/mol
Exact Mass330.11
IUPAC Name2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)c2cc(F)ccc2OC)ncc1C(F)(F)F
InChIInChI=1S/C14H14F4N4O/c1-19-12-9(14(16,17)18)7-20-13(21-12)22(2)10-6-8(15)4-5-11(10)23-3/h4-7H,1-3H3,(H,19,20,21)
InChIKeyZHKBIANOVWTNEB-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 141339195) is 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(N(C)c2cc(F)ccc2OC)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZHKBIANOVWTNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O/c1-19-12-9(14(16,17)18)7-20-13(21-12)22(2)10-6-8(15)4-5-11(10)23-3/h4-7H,1-3H3,(H,19,20,21).
What are the key properties of 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 330.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-2-methoxyphenyl)-2-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141339195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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