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

C12H14ClN3OS — CID 62189753

IUPAC[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H14ClN3OS/c13-11-9-3-5-18-12(9)15-10(14-11)6-16-4-1-2-8(16)7-17/h3,5,8,17H,1-2,4,6-7H2
InChIKeyYWZFYJMHBXUTPY-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.30
Rot. Bonds3

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

[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62189753) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62189753
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H14ClN3OS/c13-11-9-3-5-18-12(9)15-10(14-11)6-16-4-1-2-8(16)7-17/h3,5,8,17H,1-2,4,6-7H2
InChIKeyYWZFYJMHBXUTPY-UHFFFAOYSA-N
XLogP2.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467372
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
[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
CID 61406446
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 62187422
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
4-chloro-2-(cyclohexylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 62188998
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
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
CID 62189688

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 62189753) is [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is YWZFYJMHBXUTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c13-11-9-3-5-18-12(9)15-10(14-11)6-16-4-1-2-8(16)7-17/h3,5,8,17H,1-2,4,6-7H2.
What are the key properties of [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 283.78 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62189753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).