6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C12H15ClF3N3O — CID 139546900

IUPAC6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC[C@@H]1CCC[C@H](CNc2cc(Cl)nc(C(F)(F)F)n2)O1
InChIInChI=1S/C12H15ClF3N3O/c1-7-3-2-4-8(20-7)6-17-10-5-9(13)18-11(19-10)12(14,15)16/h5,7-8H,2-4,6H2,1H3,(H,17,18,19)/t7-,8-/m1/s1
InChIKeyFANCOGAYDBPBKW-HTQZYQBOSA-N
MW309.72 g/mol
LogP3.52
Rot. Bonds3

About 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 139546900) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID139546900
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC[C@@H]1CCC[C@H](CNc2cc(Cl)nc(C(F)(F)F)n2)O1
InChIInChI=1S/C12H15ClF3N3O/c1-7-3-2-4-8(20-7)6-17-10-5-9(13)18-11(19-10)12(14,15)16/h5,7-8H,2-4,6H2,1H3,(H,17,18,19)/t7-,8-/m1/s1
InChIKeyFANCOGAYDBPBKW-HTQZYQBOSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 139546900) is 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is C[C@@H]1CCC[C@H](CNc2cc(Cl)nc(C(F)(F)F)n2)O1.
What is the InChIKey of 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FANCOGAYDBPBKW-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-7-3-2-4-8(20-7)6-17-10-5-9(13)18-11(19-10)12(14,15)16/h5,7-8H,2-4,6H2,1H3,(H,17,18,19)/t7-,8-/m1/s1.
What are the key properties of 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 309.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 139546900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).