4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine

C15H17ClN2O2 — CID 62496941

IUPAC4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)cc(COC)n2)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-8-20-13-6-4-11(5-7-13)15-17-12(10-19-2)9-14(16)18-15/h4-7,9H,3,8,10H2,1-2H3
InChIKeyZWUJUMVMGYEWSQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.73
Rot. Bonds6

About 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine (PubChem CID 62496941) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine
PubChem CID62496941
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)cc(COC)n2)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-8-20-13-6-4-11(5-7-13)15-17-12(10-19-2)9-14(16)18-15/h4-7,9H,3,8,10H2,1-2H3
InChIKeyZWUJUMVMGYEWSQ-UHFFFAOYSA-N
XLogP3.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
CID 63405375
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine
CID 66423422
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
1-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]isoquinoline
CID 63948424
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668
4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
CID 66140877
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
CID 62320318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine (CID 62496941) is 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine is CCCOc1ccc(-c2nc(Cl)cc(COC)n2)cc1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine?
The InChIKey is ZWUJUMVMGYEWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-8-20-13-6-4-11(5-7-13)15-17-12(10-19-2)9-14(16)18-15/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine has a molecular weight of 292.77 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine is sourced from PubChem (CID 62496941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).