N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C19H22F3N3O — CID 15999570

IUPACN-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(N(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C19H22F3N3O/c1-25(14-6-4-3-5-7-14)18-23-16(12-17(24-18)19(20,21)22)13-8-10-15(26-2)11-9-13/h8-12,14H,3-7H2,1-2H3
InChIKeyANWYAGZCDKRKRL-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.94
Rot. Bonds4

About N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 15999570) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID15999570
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC NameN-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(N(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C19H22F3N3O/c1-25(14-6-4-3-5-7-14)18-23-16(12-17(24-18)19(20,21)22)13-8-10-15(26-2)11-9-13/h8-12,14H,3-7H2,1-2H3
InChIKeyANWYAGZCDKRKRL-UHFFFAOYSA-N
XLogP4.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 15999570) is N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(-c2cc(C(F)(F)F)nc(N(C)C3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ANWYAGZCDKRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-25(14-6-4-3-5-7-14)18-23-16(12-17(24-18)19(20,21)22)13-8-10-15(26-2)11-9-13/h8-12,14H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 365.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 15999570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).