N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide

C18H20N6OS — CID 175650654

IUPACN-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESCc1sc2ncnc(N3CCCC(NC(=O)c4cnccn4)C3)c2c1C
InChIInChI=1S/C18H20N6OS/c1-11-12(2)26-18-15(11)16(21-10-22-18)24-7-3-4-13(9-24)23-17(25)14-8-19-5-6-20-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,23,25)
InChIKeyYDHBJXUYQUBZTO-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide

N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 175650654) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID175650654
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESCc1sc2ncnc(N3CCCC(NC(=O)c4cnccn4)C3)c2c1C
InChIInChI=1S/C18H20N6OS/c1-11-12(2)26-18-15(11)16(21-10-22-18)24-7-3-4-13(9-24)23-17(25)14-8-19-5-6-20-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,23,25)
InChIKeyYDHBJXUYQUBZTO-UHFFFAOYSA-N
XLogP2.50
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
CID 175649491
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650947
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 18274285
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide (CID 175650654) is N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide is Cc1sc2ncnc(N3CCCC(NC(=O)c4cnccn4)C3)c2c1C.
What is the InChIKey of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is YDHBJXUYQUBZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-12(2)26-18-15(11)16(21-10-22-18)24-7-3-4-13(9-24)23-17(25)14-8-19-5-6-20-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide?
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175650654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).