2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C16H18N4O2S — CID 45279636

IUPAC2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1
InChIInChI=1S/C16H18N4O2S/c1-10-2-3-13(22-10)15-18-14(17)12-8-11(23-16(12)19-15)9-20-4-6-21-7-5-20/h2-3,8H,4-7,9H2,1H3,(H2,17,18,19)
InChIKeyJGUHMFYVPGNRJE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.67
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279636) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279636
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1
InChIInChI=1S/C16H18N4O2S/c1-10-2-3-13(22-10)15-18-14(17)12-8-11(23-16(12)19-15)9-20-4-6-21-7-5-20/h2-3,8H,4-7,9H2,1H3,(H2,17,18,19)
InChIKeyJGUHMFYVPGNRJE-UHFFFAOYSA-N
XLogP2.67
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45279636) is 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JGUHMFYVPGNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-2-3-13(22-10)15-18-14(17)12-8-11(23-16(12)19-15)9-20-4-6-21-7-5-20/h2-3,8H,4-7,9H2,1H3,(H2,17,18,19).
What are the key properties of 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).