4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine

C16H23ClN2 — CID 112743581

IUPAC4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C(C2CCC2)C2CCC2)nc(Cl)c1C
InChIInChI=1S/C16H23ClN2/c1-3-13-10(2)15(17)19-16(18-13)14(11-6-4-7-11)12-8-5-9-12/h11-12,14H,3-9H2,1-2H3
InChIKeyJWJMHNAHUKSQJT-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.68
Rot. Bonds4

About 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine

4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine (PubChem CID 112743581) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine
PubChem CID112743581
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C(C2CCC2)C2CCC2)nc(Cl)c1C
InChIInChI=1S/C16H23ClN2/c1-3-13-10(2)15(17)19-16(18-13)14(11-6-4-7-11)12-8-5-9-12/h11-12,14H,3-9H2,1-2H3
InChIKeyJWJMHNAHUKSQJT-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine
CID 116502357
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine
CID 164663973
2-[cyclohexyl(methoxy)methyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 116776346
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine
CID 64985726
6-chloro-N-(1-cyclohexylpropyl)-2,5-dimethylpyrimidin-4-amine
CID 63728869
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645
4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 66130304
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80970027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine (CID 112743581) is 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine is CCc1nc(C(C2CCC2)C2CCC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine?
The InChIKey is JWJMHNAHUKSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-3-13-10(2)15(17)19-16(18-13)14(11-6-4-7-11)12-8-5-9-12/h11-12,14H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine?
4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine has a molecular weight of 278.83 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 112743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).