2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C15H22N6O — CID 154786301

IUPAC2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1c[nH]c2ncnc(NCC(=O)N3CCN(C)CC3)c12
InChIInChI=1S/C15H22N6O/c1-3-11-8-16-14-13(11)15(19-10-18-14)17-9-12(22)21-6-4-20(2)5-7-21/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyQHDMIFCYJXOISL-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.71
Rot. Bonds4

About 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 154786301) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID154786301
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1c[nH]c2ncnc(NCC(=O)N3CCN(C)CC3)c12
InChIInChI=1S/C15H22N6O/c1-3-11-8-16-14-13(11)15(19-10-18-14)17-9-12(22)21-6-4-20(2)5-7-21/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyQHDMIFCYJXOISL-UHFFFAOYSA-N
XLogP0.71
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

(2R)-1-(1,3-dihydroisoindol-2-yl)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-one
CID 154788265
5-ethyl-N-[[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 167887065
N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 170556578
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167933059
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167865422
5-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 154799118
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 167813431
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 154786301) is 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CCc1c[nH]c2ncnc(NCC(=O)N3CCN(C)CC3)c12.
What is the InChIKey of 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QHDMIFCYJXOISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-11-8-16-14-13(11)15(19-10-18-14)17-9-12(22)21-6-4-20(2)5-7-21/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 302.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 154786301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).