5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C17H24N4O2S — CID 45167246

IUPAC5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)C)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C17H24N4O2S/c1-10(2)7-19-16(22)14-11(3)13-15(20-9-21-17(13)24-14)18-8-12-5-4-6-23-12/h9-10,12H,4-8H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyDQBPPTPWFKMSMK-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.98
Rot. Bonds6

About 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45167246) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45167246
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)C)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C17H24N4O2S/c1-10(2)7-19-16(22)14-11(3)13-15(20-9-21-17(13)24-14)18-8-12-5-4-6-23-12/h9-10,12H,4-8H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyDQBPPTPWFKMSMK-UHFFFAOYSA-N
XLogP2.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45167246) is 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(C)C)sc2ncnc(NCC3CCCO3)c12.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DQBPPTPWFKMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10(2)7-19-16(22)14-11(3)13-15(20-9-21-17(13)24-14)18-8-12-5-4-6-23-12/h9-10,12H,4-8H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45167246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).