[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone

C17H24N4O2S — CID 42397338

IUPAC[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCOCCCNc1ncnc2sc(C(=O)N3CCCCC3)c(C)c12
InChIInChI=1S/C17H24N4O2S/c1-12-13-15(18-7-6-10-23-2)19-11-20-16(13)24-14(12)17(22)21-8-4-3-5-9-21/h11H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyHFHUGPKKHYPULB-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.07
Rot. Bonds6

About [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone

[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 42397338) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
PubChem CID42397338
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCOCCCNc1ncnc2sc(C(=O)N3CCCCC3)c(C)c12
InChIInChI=1S/C17H24N4O2S/c1-12-13-15(18-7-6-10-23-2)19-11-20-16(13)24-14(12)17(22)21-8-4-3-5-9-21/h11H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyHFHUGPKKHYPULB-UHFFFAOYSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42449732
[4-(2-methoxyethyl)piperazin-1-yl]-[4-[2-(3-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 29219263
azepan-1-yl-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26279444
azocan-1-yl-[4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26398498
[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 42327099
methyl 4-(3-hydroxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849922
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
[4-(2-methoxyethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 42430023
1-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxamide
CID 45165663
1-[3-[[6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 42344329

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 42397338) is [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone is COCCCNc1ncnc2sc(C(=O)N3CCCCC3)c(C)c12.
What is the InChIKey of [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is HFHUGPKKHYPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-13-15(18-7-6-10-23-2)19-11-20-16(13)24-14(12)17(22)21-8-4-3-5-9-21/h11H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 348.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42397338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).