4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine

C18H16F3N5O2 — CID 19148195

IUPAC4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
SMILESCOc1ccccc1Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N
InChIInChI=1S/C18H16F3N5O2/c1-27-14-5-3-2-4-13(14)26-17-15(22)16(23-10-24-17)25-11-6-8-12(9-7-11)28-18(19,20)21/h2-10H,22H2,1H3,(H2,23,24,25,26)
InChIKeyGPJTXACZBSNPHV-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.45
Rot. Bonds6

About 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine

4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19148195) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19148195
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
SMILESCOc1ccccc1Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N
InChIInChI=1S/C18H16F3N5O2/c1-27-14-5-3-2-4-13(14)26-17-15(22)16(23-10-24-17)25-11-6-8-12(9-7-11)28-18(19,20)21/h2-10H,22H2,1H3,(H2,23,24,25,26)
InChIKeyGPJTXACZBSNPHV-UHFFFAOYSA-N
XLogP4.45
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-ethoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19153756
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-N,4-N-dimethyl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19137031
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980
4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19144115
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
methyl 4-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]oxybenzoate
CID 22544764
4-N-(2-fluorophenyl)-5-methanimidoyl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 126745279
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine (CID 19148195) is 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine is COc1ccccc1Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N.
What is the InChIKey of 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is GPJTXACZBSNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-27-14-5-3-2-4-13(14)26-17-15(22)16(23-10-24-17)25-11-6-8-12(9-7-11)28-18(19,20)21/h2-10H,22H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 391.35 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).