4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C19H23N5O3S — CID 118734659

IUPAC4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C19H23N5O3S/c1-11-8-13(19(26)24(3)9-11)23-16-14-12(2)15(28-18(14)22-10-21-16)17(25)20-6-5-7-27-4/h8-10H,5-7H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyTVHUSSZJFHMVIB-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.52
Rot. Bonds7

About 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118734659) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID118734659
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C19H23N5O3S/c1-11-8-13(19(26)24(3)9-11)23-16-14-12(2)15(28-18(14)22-10-21-16)17(25)20-6-5-7-27-4/h8-10H,5-7H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyTVHUSSZJFHMVIB-UHFFFAOYSA-N
XLogP2.52
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 118734659) is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C.
What is the InChIKey of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is TVHUSSZJFHMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11-8-13(19(26)24(3)9-11)23-16-14-12(2)15(28-18(14)22-10-21-16)17(25)20-6-5-7-27-4/h8-10H,5-7H2,1-4H3,(H,20,25)(H,21,22,23).
What are the key properties of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118734659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).