2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H15ClF3N3O — CID 114562632

IUPAC2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H15ClF3N3O/c1-19(7-8-2-4-20-5-3-8)10-6-9(12(14,15)16)17-11(13)18-10/h6,8H,2-5,7H2,1H3
InChIKeyLEZUFVOJVMZDPM-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562632) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562632
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H15ClF3N3O/c1-19(7-8-2-4-20-5-3-8)10-6-9(12(14,15)16)17-11(13)18-10/h6,8H,2-5,7H2,1H3
InChIKeyLEZUFVOJVMZDPM-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562605
2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562672
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
CID 132564090
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
CID 114562086
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 53410302
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 79873857
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 114562244
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
2-chloro-N-methyl-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562345
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562632) is 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is CN(CC1CCOCC1)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LEZUFVOJVMZDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-19(7-8-2-4-20-5-3-8)10-6-9(12(14,15)16)17-11(13)18-10/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 309.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).