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

C11H16N4OS — CID 62336603

IUPAC1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-7(16)5-15(2)6-9-13-10(12)8-3-4-17-11(8)14-9/h3-4,7,16H,5-6H2,1-2H3,(H2,12,13,14)
InChIKeyPRMVZOKEEZLSKJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.09
Rot. Bonds4

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

1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol (PubChem CID 62336603) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
PubChem CID62336603
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-7(16)5-15(2)6-9-13-10(12)8-3-4-17-11(8)14-9/h3-4,7,16H,5-6H2,1-2H3,(H2,12,13,14)
InChIKeyPRMVZOKEEZLSKJ-UHFFFAOYSA-N
XLogP1.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 62182664
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanenitrile
CID 55046681
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440
N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996867
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103205
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209146
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol (CID 62336603) is 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1nc(N)c2ccsc2n1.
What is the InChIKey of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
The InChIKey is PRMVZOKEEZLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(16)5-15(2)6-9-13-10(12)8-3-4-17-11(8)14-9/h3-4,7,16H,5-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62336603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).