4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine

C11H17ClN2O — CID 116502357

IUPAC4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine
SMILESCCc1nc(C(C)COC)nc(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-5-9-8(3)10(12)14-11(13-9)7(2)6-15-4/h7H,5-6H2,1-4H3
InChIKeyKEOXVRXHYUZURN-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine

4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine (PubChem CID 116502357) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine
PubChem CID116502357
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine
SMILESCCc1nc(C(C)COC)nc(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-5-9-8(3)10(12)14-11(13-9)7(2)6-15-4/h7H,5-6H2,1-4H3
InChIKeyKEOXVRXHYUZURN-UHFFFAOYSA-N
XLogP2.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502347
4-chloro-2-[di(cyclobutyl)methyl]-6-ethyl-5-methylpyrimidine
CID 112743581
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502371
4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 66130304
4-chloro-6-ethyl-5-methyl-2-(trichloromethyl)pyrimidine
CID 164663973
2-butan-2-yl-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63560396
[2-(1-methoxypropan-2-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 116503114
2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
CID 62313435
4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502346
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
CID 103177544
6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine (CID 116502357) is 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine is CCc1nc(C(C)COC)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine?
The InChIKey is KEOXVRXHYUZURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-5-9-8(3)10(12)14-11(13-9)7(2)6-15-4/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine?
4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine has a molecular weight of 228.72 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 116502357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).