6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

C12H10ClF6N5O2 — CID 160863297

IUPAC6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN(C)c1cc(Cl)nc(C(F)(F)F)n1.O=c1cc(O)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H7ClF3N3.C5H3F3N2O2/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11;6-5(7,8)4-9-2(11)1-3(12)10-4/h3H,1-2H3;1H,(H2,9,10,11,12)
InChIKeySKTUIVNUYPRMGM-UHFFFAOYSA-N
MW405.69 g/mol
LogP2.71
Rot. Bonds1

About 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 160863297) has the molecular formula C12H10ClF6N5O2 and a molecular weight of 405.69 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID160863297
Molecular FormulaC12H10ClF6N5O2
Molecular Weight405.69 g/mol
Exact Mass405.04
IUPAC Name6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN(C)c1cc(Cl)nc(C(F)(F)F)n1.O=c1cc(O)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H7ClF3N3.C5H3F3N2O2/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11;6-5(7,8)4-9-2(11)1-3(12)10-4/h3H,1-2H3;1H,(H2,9,10,11,12)
InChIKeySKTUIVNUYPRMGM-UHFFFAOYSA-N
XLogP2.71
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.69
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 160863297) is 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is CN(C)c1cc(Cl)nc(C(F)(F)F)n1.O=c1cc(O)nc(C(F)(F)F)[nH]1.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is SKTUIVNUYPRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3.C5H3F3N2O2/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11;6-5(7,8)4-9-2(11)1-3(12)10-4/h3H,1-2H3;1H,(H2,9,10,11,12).
What are the key properties of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 405.69 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 160863297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).