(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one

C15H20N4O2S — CID 99634099

IUPAC(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
SMILESCCc1nc(N[C@H]2CCCN(CCO)C2=O)c2ccsc2n1
InChIInChI=1S/C15H20N4O2S/c1-2-12-17-13(10-5-9-22-14(10)18-12)16-11-4-3-6-19(7-8-20)15(11)21/h5,9,11,20H,2-4,6-8H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyZEVIOZQRMPPONU-NSHDSACASA-N
MW320.42 g/mol
LogP1.65
Rot. Bonds5

About (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one

(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one (PubChem CID 99634099) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
PubChem CID99634099
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
SMILESCCc1nc(N[C@H]2CCCN(CCO)C2=O)c2ccsc2n1
InChIInChI=1S/C15H20N4O2S/c1-2-12-17-13(10-5-9-22-14(10)18-12)16-11-4-3-6-19(7-8-20)15(11)21/h5,9,11,20H,2-4,6-8H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyZEVIOZQRMPPONU-NSHDSACASA-N
XLogP1.65
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one with MolForge

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Related Compounds

N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403347
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404145
2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403059
2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403719
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133404349
3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 133405482
(3R)-3-[(8-fluoroquinazolin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 100651723
2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133403799
2-ethyl-N-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133405446
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one (CID 99634099) is (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one is CCc1nc(N[C@H]2CCCN(CCO)C2=O)c2ccsc2n1.
What is the InChIKey of (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is ZEVIOZQRMPPONU-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-2-12-17-13(10-5-9-22-14(10)18-12)16-11-4-3-6-19(7-8-20)15(11)21/h5,9,11,20H,2-4,6-8H2,1H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one?
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 320.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 99634099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).