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

C10H13ClF3N3 — CID 63728836

IUPAC6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(CC)CC(F)(F)F
InChIInChI=1S/C10H13ClF3N3/c1-3-7-8(11)15-6-16-9(7)17(4-2)5-10(12,13)14/h6H,3-5H2,1-2H3
InChIKeyXMGWMOUYUPVJDQ-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.08
Rot. Bonds4

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

6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63728836) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63728836
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(CC)CC(F)(F)F
InChIInChI=1S/C10H13ClF3N3/c1-3-7-8(11)15-6-16-9(7)17(4-2)5-10(12,13)14/h6H,3-5H2,1-2H3
InChIKeyXMGWMOUYUPVJDQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.08
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-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63728836) is 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1N(CC)CC(F)(F)F.
What is the InChIKey of 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is XMGWMOUYUPVJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-3-7-8(11)15-6-16-9(7)17(4-2)5-10(12,13)14/h6H,3-5H2,1-2H3.
What are the key properties of 6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N,5-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 267.68 g/mol, XLogP of 3.08, 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-diethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).