4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C20H29N5O2S — CID 71654909

IUPAC4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(C)(C)C(=O)NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-4-5-13-6-9-25(10-7-13)18-16-14(23-12-24-18)11-15(28-16)17(21)26/h11-13H,4-10H2,1-3H3,(H2,21,26)(H,22,27)
InChIKeyGMILTSIKPMSSBB-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.95
Rot. Bonds6

About 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654909) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654909
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(C)(C)C(=O)NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-4-5-13-6-9-25(10-7-13)18-16-14(23-12-24-18)11-15(28-16)17(21)26/h11-13H,4-10H2,1-3H3,(H2,21,26)(H,22,27)
InChIKeyGMILTSIKPMSSBB-UHFFFAOYSA-N
XLogP2.95
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
CID 71304813
4-(4-{2-[(2,2-Dimethylpropanoyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304814
4-(4-{2-[(Methylsulfonyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304815
Tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylate
CID 71654771
[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
1-[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]ethanone
CID 76332495
4-(6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamino)-benzamide
CID 18382823
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid methyl-amide
CID 25230098
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
CID 25231167

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654909) is 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is CC(C)(C)C(=O)NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is GMILTSIKPMSSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-4-5-13-6-9-25(10-7-13)18-16-14(23-12-24-18)11-15(28-16)17(21)26/h11-13H,4-10H2,1-3H3,(H2,21,26)(H,22,27).
What are the key properties of 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,2-dimethylpropanoylamino)propyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).