4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine

C14H16ClFN2 — CID 175746418

IUPAC4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine
SMILESCC(C)C1C(c2cc(Cl)ncn2)=CC(F)=CC1C
InChIInChI=1S/C14H16ClFN2/c1-8(2)14-9(3)4-10(16)5-11(14)12-6-13(15)18-7-17-12/h4-9,14H,1-3H3
InChIKeyNRQWOQJSJZBCFY-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine

4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine (PubChem CID 175746418) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine
PubChem CID175746418
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine
SMILESCC(C)C1C(c2cc(Cl)ncn2)=CC(F)=CC1C
InChIInChI=1S/C14H16ClFN2/c1-8(2)14-9(3)4-10(16)5-11(14)12-6-13(15)18-7-17-12/h4-9,14H,1-3H3
InChIKeyNRQWOQJSJZBCFY-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine (CID 175746418) is 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine is CC(C)C1C(c2cc(Cl)ncn2)=CC(F)=CC1C.
What is the InChIKey of 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine?
The InChIKey is NRQWOQJSJZBCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-8(2)14-9(3)4-10(16)5-11(14)12-6-13(15)18-7-17-12/h4-9,14H,1-3H3.
What are the key properties of 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine?
4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine has a molecular weight of 266.75 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrimidine is sourced from PubChem (CID 175746418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).