4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine

C13H19ClN2O — CID 80690391

IUPAC4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
SMILESCCc1c(C)nc(C2(C)CCCCO2)nc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-10-9(2)15-12(16-11(10)14)13(3)7-5-6-8-17-13/h4-8H2,1-3H3
InChIKeySJXINAQYLARJGP-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine (PubChem CID 80690391) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
PubChem CID80690391
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
SMILESCCc1c(C)nc(C2(C)CCCCO2)nc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-10-9(2)15-12(16-11(10)14)13(3)7-5-6-8-17-13/h4-8H2,1-3H3
InChIKeySJXINAQYLARJGP-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 80685788
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline
CID 80690540
2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80680873
4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine
CID 80690082
5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681024
5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680622
6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680945
1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine
CID 63319821
5-ethyl-6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476858
N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine
CID 80681424
4-(chloromethyl)-2-(2-methyloxan-2-yl)pyrimidine
CID 80680631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine (CID 80690391) is 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine is CCc1c(C)nc(C2(C)CCCCO2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine?
The InChIKey is SJXINAQYLARJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-10-9(2)15-12(16-11(10)14)13(3)7-5-6-8-17-13/h4-8H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine is sourced from PubChem (CID 80690391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).