[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone

C17H24N4OS — CID 118756583

IUPAC[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCNc1ncnc2sc(C(=O)N3CCCCC3CC)c(C)c12
InChIInChI=1S/C17H24N4OS/c1-4-12-8-6-7-9-21(12)17(22)14-11(3)13-15(18-5-2)19-10-20-16(13)23-14/h10,12H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyDXBZIIXDXANJJS-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.84
Rot. Bonds4

About [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone

[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 118756583) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID118756583
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCNc1ncnc2sc(C(=O)N3CCCCC3CC)c(C)c12
InChIInChI=1S/C17H24N4OS/c1-4-12-8-6-7-9-21(12)17(22)14-11(3)13-15(18-5-2)19-10-20-16(13)23-14/h10,12H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyDXBZIIXDXANJJS-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 42397531
(3S)-3-[[6-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]azepan-2-one
CID 42420290
[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166699
5-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 106019702
methyl 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-2-carboxylate
CID 45237219
[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
azocan-1-yl-[4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26398498
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166956
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone (CID 118756583) is [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone is CCNc1ncnc2sc(C(=O)N3CCCCC3CC)c(C)c12.
What is the InChIKey of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DXBZIIXDXANJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-12-8-6-7-9-21(12)17(22)14-11(3)13-15(18-5-2)19-10-20-16(13)23-14/h10,12H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone?
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 332.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 118756583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).