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

C9H11ClF3N3 — CID 63727895

IUPAC6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-5(2)6-7(10)15-4-16-8(6)14-3-9(11,12)13/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyNWBJPQGVDGBPFF-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.23
Rot. Bonds3

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

6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63727895) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.66 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63727895
Molecular FormulaC9H11ClF3N3
Molecular Weight253.66 g/mol
Exact Mass253.06
IUPAC Name6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-5(2)6-7(10)15-4-16-8(6)14-3-9(11,12)13/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyNWBJPQGVDGBPFF-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63727895) is 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NCC(F)(F)F.
What is the InChIKey of 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is NWBJPQGVDGBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-5(2)6-7(10)15-4-16-8(6)14-3-9(11,12)13/h4-5H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 253.66 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63727895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).