4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine

C15H17ClN2O — CID 116745810

IUPAC4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
SMILESCCc1c(C)nc(C(OC)c2ccccc2)nc1Cl
InChIInChI=1S/C15H17ClN2O/c1-4-12-10(2)17-15(18-14(12)16)13(19-3)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3
InChIKeySMUGMKUJNWKVNN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine

4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine (PubChem CID 116745810) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
PubChem CID116745810
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
SMILESCCc1c(C)nc(C(OC)c2ccccc2)nc1Cl
InChIInChI=1S/C15H17ClN2O/c1-4-12-10(2)17-15(18-14(12)16)13(19-3)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3
InChIKeySMUGMKUJNWKVNN-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
CID 62313435
4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742448
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
4-[methoxy(phenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 116781866
4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116782061
N-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidin-4-amine
CID 116775791
4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine
CID 116745724
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740817
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine (CID 116745810) is 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine is CCc1c(C)nc(C(OC)c2ccccc2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine?
The InChIKey is SMUGMKUJNWKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-12-10(2)17-15(18-14(12)16)13(19-3)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine?
4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 116745810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).