3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C14H18ClN3OS — CID 62467372

IUPAC3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C14H18ClN3OS/c15-13-11-5-8-20-14(11)17-12(16-13)9-18-6-1-3-10(18)4-2-7-19/h5,8,10,19H,1-4,6-7,9H2
InChIKeyBKMBBYLFJNAPDN-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.08
Rot. Bonds5

About 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467372) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467372
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C14H18ClN3OS/c15-13-11-5-8-20-14(11)17-12(16-13)9-18-6-1-3-10(18)4-2-7-19/h5,8,10,19H,1-4,6-7,9H2
InChIKeyBKMBBYLFJNAPDN-UHFFFAOYSA-N
XLogP3.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62189753
methyl 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62189751
4-chloro-2-[(4-methylazepan-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 63623906
3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 80609340
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 62187422
3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467092
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098819
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
CID 62187399
3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63021532
3-[1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467633
3-[1-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 111487689

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467372) is 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BKMBBYLFJNAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c15-13-11-5-8-20-14(11)17-12(16-13)9-18-6-1-3-10(18)4-2-7-19/h5,8,10,19H,1-4,6-7,9H2.
What are the key properties of 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 311.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).