4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C14H13ClF3N3O — CID 94674112

IUPAC4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOCc1cc(Cl)nc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N3O/c1-22-8-10-6-12(15)21-13(20-10)19-7-9-4-2-3-5-11(9)14(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21)
InChIKeyTXZRGEBHHASCLZ-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.91
Rot. Bonds5

About 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 94674112) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID94674112
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC Name4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOCc1cc(Cl)nc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N3O/c1-22-8-10-6-12(15)21-13(20-10)19-7-9-4-2-3-5-11(9)14(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21)
InChIKeyTXZRGEBHHASCLZ-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 94674112) is 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is COCc1cc(Cl)nc(NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is TXZRGEBHHASCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-22-8-10-6-12(15)21-13(20-10)19-7-9-4-2-3-5-11(9)14(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 331.73 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 94674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).