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

C9H9ClF3N3 — CID 80953324

IUPAC6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C9H9ClF3N3/c10-6-3-7(14-4-9(11,12)13)16-8(15-6)5-1-2-5/h3,5H,1-2,4H2,(H,14,15,16)
InChIKeyLDBDBZPOBXLEBO-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.98
Rot. Bonds3

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

6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80953324) has the molecular formula C9H9ClF3N3 and a molecular weight of 251.64 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80953324
Molecular FormulaC9H9ClF3N3
Molecular Weight251.64 g/mol
Exact Mass251.04
IUPAC Name6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C9H9ClF3N3/c10-6-3-7(14-4-9(11,12)13)16-8(15-6)5-1-2-5/h3,5H,1-2,4H2,(H,14,15,16)
InChIKeyLDBDBZPOBXLEBO-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80953324) is 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is FC(F)(F)CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is LDBDBZPOBXLEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3/c10-6-3-7(14-4-9(11,12)13)16-8(15-6)5-1-2-5/h3,5H,1-2,4H2,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 251.64 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).