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

C19H17F3N4O — CID 112878340

IUPAC4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)nc(C)n2)c1
InChIInChI=1S/C19H17F3N4O/c1-12-23-17(25-14-6-3-5-13(9-14)19(20,21)22)11-18(24-12)26-15-7-4-8-16(10-15)27-2/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeyLDFJNLYTBDVRAE-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.30
Rot. Bonds5

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

4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112878340) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112878340
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)nc(C)n2)c1
InChIInChI=1S/C19H17F3N4O/c1-12-23-17(25-14-6-3-5-13(9-14)19(20,21)22)11-18(24-12)26-15-7-4-8-16(10-15)27-2/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeyLDFJNLYTBDVRAE-UHFFFAOYSA-N
XLogP5.30
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717128
6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3954774
4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877709
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
1-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 976911

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112878340) is 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is COc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)nc(C)n2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is LDFJNLYTBDVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-23-17(25-14-6-3-5-13(9-14)19(20,21)22)11-18(24-12)26-15-7-4-8-16(10-15)27-2/h3-11H,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 374.37 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112878340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).