4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine

C16H19ClN2 — CID 55095955

IUPAC4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine
SMILESCc1cc(C)cc(Cc2nc(Cl)cc(C(C)C)n2)c1
InChIInChI=1S/C16H19ClN2/c1-10(2)14-9-15(17)19-16(18-14)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyJYJNVFIFRKTDDO-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine

4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine (PubChem CID 55095955) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine
PubChem CID55095955
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine
SMILESCc1cc(C)cc(Cc2nc(Cl)cc(C(C)C)n2)c1
InChIInChI=1S/C16H19ClN2/c1-10(2)14-9-15(17)19-16(18-14)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyJYJNVFIFRKTDDO-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
CID 61392937
2-chloro-4-methyl-6-propan-2-ylpyridine
CID 55264286
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
CID 65139776
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole
CID 65266633
2-[(3,5-dimethylphenyl)methyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63485085
2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
CID 55096243
2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 63484706
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62904201
4-(chloromethyl)-2-[(3,5-dimethylphenyl)methyl]pyrimidine
CID 55114251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine (CID 55095955) is 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine is Cc1cc(C)cc(Cc2nc(Cl)cc(C(C)C)n2)c1.
What is the InChIKey of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine?
The InChIKey is JYJNVFIFRKTDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-10(2)14-9-15(17)19-16(18-14)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine?
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine has a molecular weight of 274.80 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 55095955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).