5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine

C11H12ClN3O2 — CID 175469643

IUPAC5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine
SMILESCOc1ncnc(OC)c1-c1ccc(Cl)n1C
InChIInChI=1S/C11H12ClN3O2/c1-15-7(4-5-8(15)12)9-10(16-2)13-6-14-11(9)17-3/h4-6H,1-3H3
InChIKeyRCKQPMBTXDRDQL-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.15
Rot. Bonds3

About 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine

5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine (PubChem CID 175469643) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine
PubChem CID175469643
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine
SMILESCOc1ncnc(OC)c1-c1ccc(Cl)n1C
InChIInChI=1S/C11H12ClN3O2/c1-15-7(4-5-8(15)12)9-10(16-2)13-6-14-11(9)17-3/h4-6H,1-3H3
InChIKeyRCKQPMBTXDRDQL-UHFFFAOYSA-N
XLogP2.15
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine
CID 139331961
5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252804
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252771
(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone
CID 162667994
2-(6-methoxy-9-methylpurin-8-yl)benzonitrile
CID 134951945
5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine
CID 129090872
(4,6-dimethoxypyrimidin-5-yl) thiocyanate
CID 126553491
9-(3-chloro-4-methoxyphenyl)purin-6-amine
CID 171806311
5-chloro-4-methoxythieno[2,3-d]pyrimidine
CID 15745772
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
6-methoxy-9-(1-phenylethyl)purine
CID 102458485

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine?
The IUPAC name of 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine (CID 175469643) is 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine is COc1ncnc(OC)c1-c1ccc(Cl)n1C.
What is the InChIKey of 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine?
The InChIKey is RCKQPMBTXDRDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-15-7(4-5-8(15)12)9-10(16-2)13-6-14-11(9)17-3/h4-6H,1-3H3.
What are the key properties of 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine?
5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine has a molecular weight of 253.69 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylpyrrol-2-yl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 175469643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).