6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C12H17ClF3N3 — CID 55228552

IUPAC6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H17ClF3N3/c1-7(2)9-10(13)17-6-18-11(9)19(8(3)4)5-12(14,15)16/h6-8H,5H2,1-4H3
InChIKeyQIIRPDSFBZACFC-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.03
Rot. Bonds4

About 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 55228552) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID55228552
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC Name6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H17ClF3N3/c1-7(2)9-10(13)17-6-18-11(9)19(8(3)4)5-12(14,15)16/h6-8H,5H2,1-4H3
InChIKeyQIIRPDSFBZACFC-UHFFFAOYSA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 55228552) is 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CC(C)c1c(Cl)ncnc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is QIIRPDSFBZACFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-7(2)9-10(13)17-6-18-11(9)19(8(3)4)5-12(14,15)16/h6-8H,5H2,1-4H3.
What are the key properties of 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 295.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 55228552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).