5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine

C9H12ClN3O — CID 126853062

IUPAC5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
SMILESCOC1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C9H12ClN3O/c1-14-8-2-3-13(6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6H2,1H3
InChIKeyYFZBWZAGDRPODR-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.36
Rot. Bonds2

About 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine

5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine (PubChem CID 126853062) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
PubChem CID126853062
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
SMILESCOC1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C9H12ClN3O/c1-14-8-2-3-13(6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6H2,1H3
InChIKeyYFZBWZAGDRPODR-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 103535803
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(E)-3-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid
CID 103536011
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-5-chloropyrimidine
CID 139028724
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536606
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
(E)-3-fluoro-2-[[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]oxymethyl]prop-2-en-1-amine
CID 134254328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine (CID 126853062) is 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine is COC1CCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine?
The InChIKey is YFZBWZAGDRPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-14-8-2-3-13(6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine?
5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine has a molecular weight of 213.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 126853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).