6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C19H24N4OS — CID 67355923

IUPAC6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4C(C)CCCC4C)sc3n2)o1
InChIInChI=1S/C19H24N4OS/c1-11-5-4-6-12(2)23(11)10-14-9-15-17(20)21-18(22-19(15)25-14)16-8-7-13(3)24-16/h7-9,11-12H,4-6,10H2,1-3H3,(H2,20,21,22)
InChIKeyRQQYBXWFBNEPPN-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.60
Rot. Bonds3

About 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 67355923) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID67355923
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4C(C)CCCC4C)sc3n2)o1
InChIInChI=1S/C19H24N4OS/c1-11-5-4-6-12(2)23(11)10-14-9-15-17(20)21-18(22-19(15)25-14)16-8-7-13(3)24-16/h7-9,11-12H,4-6,10H2,1-3H3,(H2,20,21,22)
InChIKeyRQQYBXWFBNEPPN-UHFFFAOYSA-N
XLogP4.60
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 67355923) is 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4C(C)CCCC4C)sc3n2)o1.
What is the InChIKey of 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RQQYBXWFBNEPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-11-5-4-6-12(2)23(11)10-14-9-15-17(20)21-18(22-19(15)25-14)16-8-7-13(3)24-16/h7-9,11-12H,4-6,10H2,1-3H3,(H2,20,21,22).
What are the key properties of 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 356.50 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67355923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).