4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide

C16H18N4O2S — CID 53190310

IUPAC4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(N(C)C)c3c(C)scc3n2)o1
InChIInChI=1S/C16H18N4O2S/c1-9-5-6-11(22-9)7-17-16(21)14-18-12-8-23-10(2)13(12)15(19-14)20(3)4/h5-6,8H,7H2,1-4H3,(H,17,21)
InChIKeyNXYBBMXZVDBAKD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.90
Rot. Bonds4

About 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide

4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide (PubChem CID 53190310) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide
PubChem CID53190310
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(N(C)C)c3c(C)scc3n2)o1
InChIInChI=1S/C16H18N4O2S/c1-9-5-6-11(22-9)7-17-16(21)14-18-12-8-23-10(2)13(12)15(19-14)20(3)4/h5-6,8H,7H2,1-4H3,(H,17,21)
InChIKeyNXYBBMXZVDBAKD-UHFFFAOYSA-N
XLogP2.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide (CID 53190310) is 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide is Cc1ccc(CNC(=O)c2nc(N(C)C)c3c(C)scc3n2)o1.
What is the InChIKey of 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is NXYBBMXZVDBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9-5-6-11(22-9)7-17-16(21)14-18-12-8-23-10(2)13(12)15(19-14)20(3)4/h5-6,8H,7H2,1-4H3,(H,17,21).
What are the key properties of 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide?
4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53190310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).