[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol

C14H12ClN3OS — CID 106197100

IUPAC[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C14H12ClN3OS/c15-14-17-12(11-4-5-20-13(11)18-14)16-7-9-2-1-3-10(6-9)8-19/h1-6,19H,7-8H2,(H,16,17,18)
InChIKeyZSECNDMJANWRLE-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.45
Rot. Bonds4

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

[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 106197100) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID106197100
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C14H12ClN3OS/c15-14-17-12(11-4-5-20-13(11)18-14)16-7-9-2-1-3-10(6-9)8-19/h1-6,19H,7-8H2,(H,16,17,18)
InChIKeyZSECNDMJANWRLE-UHFFFAOYSA-N
XLogP3.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327305
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 106194374
[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
CID 106197129
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 106193585
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 106197100) is [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol is OCc1cccc(CNc2nc(Cl)nc3sccc23)c1.
What is the InChIKey of [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is ZSECNDMJANWRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-14-17-12(11-4-5-20-13(11)18-14)16-7-9-2-1-3-10(6-9)8-19/h1-6,19H,7-8H2,(H,16,17,18).
What are the key properties of [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 305.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).