2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol

C14H13N3OS — CID 102686720

IUPAC2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
SMILESCc1csc2c(NCc3ccccc3O)ncnc12
InChIInChI=1S/C14H13N3OS/c1-9-7-19-13-12(9)16-8-17-14(13)15-6-10-4-2-3-5-11(10)18/h2-5,7-8,18H,6H2,1H3,(H,15,16,17)
InChIKeyGEDOJESWLPJBQL-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.32
Rot. Bonds3

About 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol

2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol (PubChem CID 102686720) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
PubChem CID102686720
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
SMILESCc1csc2c(NCc3ccccc3O)ncnc12
InChIInChI=1S/C14H13N3OS/c1-9-7-19-13-12(9)16-8-17-14(13)15-6-10-4-2-3-5-11(10)18/h2-5,7-8,18H,6H2,1H3,(H,15,16,17)
InChIKeyGEDOJESWLPJBQL-UHFFFAOYSA-N
XLogP3.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
N-[(3-ethyl-2-pyridinyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686617
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
7-methyl-N-(1,2-oxazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106419173
2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]phenol
CID 113228774
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol (CID 102686720) is 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol is Cc1csc2c(NCc3ccccc3O)ncnc12.
What is the InChIKey of 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is GEDOJESWLPJBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-19-13-12(9)16-8-17-14(13)15-6-10-4-2-3-5-11(10)18/h2-5,7-8,18H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol?
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 271.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 102686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).