3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C18H26N4O2S — CID 55717832

IUPAC3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)N2CCCC(C)C2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H26N4O2S/c1-11-6-5-7-22(9-11)12(2)8-19-16(23)15-13(3)14-17(25-15)20-10-21(4)18(14)24/h10-12H,5-9H2,1-4H3,(H,19,23)
InChIKeyYXCTWIOTIPECMM-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.15
Rot. Bonds4

About 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55717832) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55717832
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)N2CCCC(C)C2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H26N4O2S/c1-11-6-5-7-22(9-11)12(2)8-19-16(23)15-13(3)14-17(25-15)20-10-21(4)18(14)24/h10-12H,5-9H2,1-4H3,(H,19,23)
InChIKeyYXCTWIOTIPECMM-UHFFFAOYSA-N
XLogP2.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
N-(2,2-diethoxyethyl)-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46374566
3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 100671445
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110889150
6-(3,5-dimethylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 4085132
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 110278093
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31205800
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55413345
N-(3-butoxypropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 36844445
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55746035

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 55717832) is 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(C)N2CCCC(C)C2)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YXCTWIOTIPECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-11-6-5-7-22(9-11)12(2)8-19-16(23)15-13(3)14-17(25-15)20-10-21(4)18(14)24/h10-12H,5-9H2,1-4H3,(H,19,23).
What are the key properties of 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55717832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).