5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine

C9H12ClN3O — CID 164639363

IUPAC5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine
SMILESCO[C@H]1CCN(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/t8-/m0/s1
InChIKeyYFZBWZAGDRPODR-QMMMGPOBSA-N
MW213.67 g/mol
LogP1.36
Rot. Bonds2

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

5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine (PubChem CID 164639363) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine
PubChem CID164639363
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine
SMILESCO[C@H]1CCN(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/t8-/m0/s1
InChIKeyYFZBWZAGDRPODR-QMMMGPOBSA-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-[(3S)-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine (CID 164639363) is 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine is CO[C@H]1CCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine?
The InChIKey is YFZBWZAGDRPODR-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine?
5-chloro-2-[(3S)-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-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 164639363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).