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

C19H17F3N4O — CID 112892604

IUPAC2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H17F3N4O/c1-27-16-8-2-13(3-9-16)12-24-18-23-11-10-17(26-18)25-15-6-4-14(5-7-15)19(20,21)22/h2-11H,12H2,1H3,(H2,23,24,25,26)
InChIKeyQTLQUQGCEQWZMO-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.86
Rot. Bonds6

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

2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112892604) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112892604
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H17F3N4O/c1-27-16-8-2-13(3-9-16)12-24-18-23-11-10-17(26-18)25-15-6-4-14(5-7-15)19(20,21)22/h2-11H,12H2,1H3,(H2,23,24,25,26)
InChIKeyQTLQUQGCEQWZMO-UHFFFAOYSA-N
XLogP4.86
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891595
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112895537
4-N-(3-bromo-4-methylphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892590
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine
CID 175018724
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
4-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112892516
methyl 4-[[2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoate
CID 112905576

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112892604) is 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is COc1ccc(CNc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is QTLQUQGCEQWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-27-16-8-2-13(3-9-16)12-24-18-23-11-10-17(26-18)25-15-6-4-14(5-7-15)19(20,21)22/h2-11H,12H2,1H3,(H2,23,24,25,26).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 374.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).