N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C17H25N3OS — CID 46571134

IUPACN-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C17H25N3OS/c1-6-7-8-9-10(2)18-16(21)15-11(3)14-12(4)19-13(5)20-17(14)22-15/h10H,6-9H2,1-5H3,(H,18,21)
InChIKeyXNCMYHLMAOEFTH-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.32
Rot. Bonds6

About N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46571134) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46571134
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C17H25N3OS/c1-6-7-8-9-10(2)18-16(21)15-11(3)14-12(4)19-13(5)20-17(14)22-15/h10H,6-9H2,1-5H3,(H,18,21)
InChIKeyXNCMYHLMAOEFTH-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 43056727
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 53369634
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 47154179
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24675463
2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 82032721
N-ethyl-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134063367
ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56500611
2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 155944253
5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519265
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56501285

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46571134) is N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCCCCC(C)NC(=O)c1sc2nc(C)nc(C)c2c1C.
What is the InChIKey of N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XNCMYHLMAOEFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-6-7-8-9-10(2)18-16(21)15-11(3)14-12(4)19-13(5)20-17(14)22-15/h10H,6-9H2,1-5H3,(H,18,21).
What are the key properties of N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46571134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).