6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C13H17ClF3N3O — CID 163807558

IUPAC6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(F)(F)F)nc1NC[C@H]1CCC[C@@H](C)O1
InChIInChI=1S/C13H17ClF3N3O/c1-7-4-3-5-9(21-7)6-18-11-8(2)10(14)19-12(20-11)13(15,16)17/h7,9H,3-6H2,1-2H3,(H,18,19,20)/t7-,9-/m1/s1
InChIKeyNKIMHBDXEDFSSF-VXNVDRBHSA-N
MW323.75 g/mol
LogP3.83
Rot. Bonds3

About 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 163807558) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID163807558
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(F)(F)F)nc1NC[C@H]1CCC[C@@H](C)O1
InChIInChI=1S/C13H17ClF3N3O/c1-7-4-3-5-9(21-7)6-18-11-8(2)10(14)19-12(20-11)13(15,16)17/h7,9H,3-6H2,1-2H3,(H,18,19,20)/t7-,9-/m1/s1
InChIKeyNKIMHBDXEDFSSF-VXNVDRBHSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 139546900
6-chloro-2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833896
6-chloro-2-ethyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 79557169
6-chloro-5-methyl-2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80971770
2-tert-butyl-6-chloro-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80971771
6-chloro-2-cyclopropyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80971772
6-chloro-5-methyl-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80972687
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-5-methylpyrimidin-4-amine
CID 103081587
3-[(2-Tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648268
3-[(2-Tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648365
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 105920219
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 105920232

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 163807558) is 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C(F)(F)F)nc1NC[C@H]1CCC[C@@H](C)O1.
What is the InChIKey of 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NKIMHBDXEDFSSF-VXNVDRBHSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-7-4-3-5-9(21-7)6-18-11-8(2)10(14)19-12(20-11)13(15,16)17/h7,9H,3-6H2,1-2H3,(H,18,19,20)/t7-,9-/m1/s1.
What are the key properties of 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 323.75 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 163807558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).