2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine

C24H26F3N5O2 — CID 57399457

IUPAC2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C24H26F3N5O2/c1-33-19-12-10-17(11-13-19)28-21-15-22(32-23(31-21)30-16-6-3-2-4-7-16)29-18-8-5-9-20(14-18)34-24(25,26)27/h5,8-16H,2-4,6-7H2,1H3,(H3,28,29,30,31,32)
InChIKeyFEDUZLNTDOEBJT-UHFFFAOYSA-N
MW473.50 g/mol
LogP6.62
Rot. Bonds8

About 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine

2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine (PubChem CID 57399457) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine
PubChem CID57399457
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C24H26F3N5O2/c1-33-19-12-10-17(11-13-19)28-21-15-22(32-23(31-21)30-16-6-3-2-4-7-16)29-18-8-5-9-20(14-18)34-24(25,26)27/h5,8-16H,2-4,6-7H2,1H3,(H3,28,29,30,31,32)
InChIKeyFEDUZLNTDOEBJT-UHFFFAOYSA-N
XLogP6.62
TPSA80.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 129304826
1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50753143
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine (CID 57399457) is 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine is COc1ccc(Nc2cc(Nc3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine?
The InChIKey is FEDUZLNTDOEBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-33-19-12-10-17(11-13-19)28-21-15-22(32-23(31-21)30-16-6-3-2-4-7-16)29-18-8-5-9-20(14-18)34-24(25,26)27/h5,8-16H,2-4,6-7H2,1H3,(H3,28,29,30,31,32).
What are the key properties of 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine?
2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine has a molecular weight of 473.50 g/mol, XLogP of 6.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 57399457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).