4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine

C12H11ClN2O2 — CID 82169427

IUPAC4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)cc(OC)n2)c1
InChIInChI=1S/C12H11ClN2O2/c1-16-9-5-3-4-8(6-9)12-14-10(13)7-11(15-12)17-2/h3-7H,1-2H3
InChIKeyDGTYYRMDIJLJII-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.81
Rot. Bonds3

About 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine

4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine (PubChem CID 82169427) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
PubChem CID82169427
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)cc(OC)n2)c1
InChIInChI=1S/C12H11ClN2O2/c1-16-9-5-3-4-8(6-9)12-14-10(13)7-11(15-12)17-2/h3-7H,1-2H3
InChIKeyDGTYYRMDIJLJII-UHFFFAOYSA-N
XLogP2.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
4-(3-methoxyphenyl)-6-(trichloromethyl)-1H-1,3,5-triazin-2-one
CID 135704022
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
4-(chloromethyl)-2-(3-methoxyphenyl)-6-methylpyrimidine
CID 55114193
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine (CID 82169427) is 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2nc(Cl)cc(OC)n2)c1.
What is the InChIKey of 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine?
The InChIKey is DGTYYRMDIJLJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-9-5-3-4-8(6-9)12-14-10(13)7-11(15-12)17-2/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine?
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine has a molecular weight of 250.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 82169427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).