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

C16H22N4OS — CID 42346611

IUPAC[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCNc1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c12
InChIInChI=1S/C16H22N4OS/c1-4-17-14-12-11(3)13(22-15(12)19-9-18-14)16(21)20-7-5-6-10(2)8-20/h9-10H,4-8H2,1-3H3,(H,17,18,19)/t10-/m0/s1
InChIKeyNKAPWYZUJHOPPW-JTQLQIEISA-N
MW318.45 g/mol
LogP3.30
Rot. Bonds3

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

[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 42346611) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID42346611
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCNc1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c12
InChIInChI=1S/C16H22N4OS/c1-4-17-14-12-11(3)13(22-15(12)19-9-18-14)16(21)20-7-5-6-10(2)8-20/h9-10H,4-8H2,1-3H3,(H,17,18,19)/t10-/m0/s1
InChIKeyNKAPWYZUJHOPPW-JTQLQIEISA-N
XLogP3.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45230677
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45236756
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
azocan-1-yl-[4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26398498
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338
1-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxamide
CID 45165663
5-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 106019702
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
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
3-(2-ethoxyethyl)-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065777

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 42346611) is [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is CCNc1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c12.
What is the InChIKey of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is NKAPWYZUJHOPPW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-17-14-12-11(3)13(22-15(12)19-9-18-14)16(21)20-7-5-6-10(2)8-20/h9-10H,4-8H2,1-3H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of [4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 318.45 g/mol, XLogP of 3.30, 3 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]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 42346611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).