4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine

C10H12ClF3N2O — CID 82954659

IUPAC4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-6(2)7-8(11)15-5-16-9(7)17-4-3-10(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyKHERHFBGGVORAB-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.58
Rot. Bonds4

About 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine

4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine (PubChem CID 82954659) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine
PubChem CID82954659
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-6(2)7-8(11)15-5-16-9(7)17-4-3-10(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyKHERHFBGGVORAB-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine?
The IUPAC name of 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine (CID 82954659) is 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine is CC(C)c1c(Cl)ncnc1OCCC(F)(F)F.
What is the InChIKey of 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine?
The InChIKey is KHERHFBGGVORAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-6(2)7-8(11)15-5-16-9(7)17-4-3-10(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine?
4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine has a molecular weight of 268.67 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidine is sourced from PubChem (CID 82954659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).