3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

C17H24N4OS — CID 133405482

IUPAC3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(NC(CC(N)=O)C2CCCCC2)c2ccsc2n1
InChIInChI=1S/C17H24N4OS/c1-2-15-20-16(12-8-9-23-17(12)21-15)19-13(10-14(18)22)11-6-4-3-5-7-11/h8-9,11,13H,2-7,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyJPPGOKDLFVFHFC-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.49
Rot. Bonds6

About 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 133405482) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID133405482
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(NC(CC(N)=O)C2CCCCC2)c2ccsc2n1
InChIInChI=1S/C17H24N4OS/c1-2-15-20-16(12-8-9-23-17(12)21-15)19-13(10-14(18)22)11-6-4-3-5-7-11/h8-9,11,13H,2-7,10H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyJPPGOKDLFVFHFC-UHFFFAOYSA-N
XLogP3.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050114
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
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404236
2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403719
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 99634099
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide
CID 75433273
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 133405482) is 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is CCc1nc(NC(CC(N)=O)C2CCCCC2)c2ccsc2n1.
What is the InChIKey of 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is JPPGOKDLFVFHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-15-20-16(12-8-9-23-17(12)21-15)19-13(10-14(18)22)11-6-4-3-5-7-11/h8-9,11,13H,2-7,10H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 133405482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).