4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine

C12H18N4OS — CID 106154672

IUPAC4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
SMILESCOCC(CCN)Nc1ncnc2sc(C)cc12
InChIInChI=1S/C12H18N4OS/c1-8-5-10-11(14-7-15-12(10)18-8)16-9(3-4-13)6-17-2/h5,7,9H,3-4,6,13H2,1-2H3,(H,14,15,16)
InChIKeyKKBJVCWIKALRJD-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.78
Rot. Bonds6

About 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine

4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine (PubChem CID 106154672) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
PubChem CID106154672
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
SMILESCOCC(CCN)Nc1ncnc2sc(C)cc12
InChIInChI=1S/C12H18N4OS/c1-8-5-10-11(14-7-15-12(10)18-8)16-9(3-4-13)6-17-2/h5,7,9H,3-4,6,13H2,1-2H3,(H,14,15,16)
InChIKeyKKBJVCWIKALRJD-UHFFFAOYSA-N
XLogP1.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine (CID 106154672) is 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine is COCC(CCN)Nc1ncnc2sc(C)cc12.
What is the InChIKey of 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine?
The InChIKey is KKBJVCWIKALRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-5-10-11(14-7-15-12(10)18-8)16-9(3-4-13)6-17-2/h5,7,9H,3-4,6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine?
4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine has a molecular weight of 266.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 106154672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).