N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide

C23H27N5O2S — CID 30721663

IUPACN-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide
SMILESC[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C23H27N5O2S/c1-15(28-11-9-27(10-12-28)13-19(29)24-17-7-8-17)21-25-22(30)20-18(14-31-23(20)26-21)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,24,29)(H,25,26,30)/t15-/m0/s1
InChIKeyOKXGEDLHIZMZOB-HNNXBMFYSA-N
MW437.57 g/mol
LogP2.61
Rot. Bonds6

About N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 30721663) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID30721663
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide
SMILESC[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C23H27N5O2S/c1-15(28-11-9-27(10-12-28)13-19(29)24-17-7-8-17)21-25-22(30)20-18(14-31-23(20)26-21)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,24,29)(H,25,26,30)/t15-/m0/s1
InChIKeyOKXGEDLHIZMZOB-HNNXBMFYSA-N
XLogP2.61
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 30728756
4-[[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 30622693
(2S)-N-cyclopropyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 7246648
2-[(1R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 30622982
N-benzyl-2-[4-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide
CID 43039765
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 41358255
2-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8602484
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrrolidine-1-carbodithioate
CID 30064866
N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7246640
N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548315
2-[(1R)-1-(4-benzylpiperazin-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9269859

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide (CID 30721663) is N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide is C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is OKXGEDLHIZMZOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-15(28-11-9-27(10-12-28)13-19(29)24-17-7-8-17)21-25-22(30)20-18(14-31-23(20)26-21)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,24,29)(H,25,26,30)/t15-/m0/s1.
What are the key properties of N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30721663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).