4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine

C14H12Cl2F2N2 — CID 115527508

IUPAC4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2cccc(C(F)F)c2)nc1Cl
InChIInChI=1S/C14H12Cl2F2N2/c1-7(2)10-11(15)19-14(20-12(10)16)9-5-3-4-8(6-9)13(17)18/h3-7,13H,1-2H3
InChIKeyMTHFIPGHCCFCPA-UHFFFAOYSA-N
MW317.17 g/mol
LogP5.51
Rot. Bonds3

About 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine

4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine (PubChem CID 115527508) has the molecular formula C14H12Cl2F2N2 and a molecular weight of 317.17 g/mol. Its IUPAC name is 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
PubChem CID115527508
Molecular FormulaC14H12Cl2F2N2
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Name4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2cccc(C(F)F)c2)nc1Cl
InChIInChI=1S/C14H12Cl2F2N2/c1-7(2)10-11(15)19-14(20-12(10)16)9-5-3-4-8(6-9)13(17)18/h3-7,13H,1-2H3
InChIKeyMTHFIPGHCCFCPA-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.17
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 63405676
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
CID 55247364
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 63405768
4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
CID 113328920
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 105407998
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
2-[3-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115528392
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine (CID 115527508) is 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(-c2cccc(C(F)F)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine?
The InChIKey is MTHFIPGHCCFCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2/c1-7(2)10-11(15)19-14(20-12(10)16)9-5-3-4-8(6-9)13(17)18/h3-7,13H,1-2H3.
What are the key properties of 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine?
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine has a molecular weight of 317.17 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 115527508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).