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

C14H14F4N4O — CID 141339195

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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Related Compounds

2-N-[3-amino-4-methoxy-2-(methyliminomethyl)phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174320128
2-N-(2-methoxy-5-methyl-4-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118896267
[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[2-fluoro-5-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 71585006
4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 150830634
[4-[[4-[5-fluoro-2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]methylphosphonic acid
CID 67480466
2-[4-[ethyl-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-(fluoromethoxy)-2-methylphenyl]morpholine-4-carbaldehyde
CID 130384923
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564803
6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine
CID 64981420
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607729

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).