1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C15H23N5O — CID 69048196

IUPAC1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)C2=c3cc[nH]c3=NCN2C)CC1
InChIInChI=1S/C15H23N5O/c1-11(21)20-8-5-12(6-9-20)19(3)15-13-4-7-16-14(13)17-10-18(15)2/h4,7,12H,5-6,8-10H2,1-3H3,(H,16,17)
InChIKeyNBEUYZWFWOWPMU-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.45
Rot. Bonds2

About 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 69048196) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID69048196
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)C2=c3cc[nH]c3=NCN2C)CC1
InChIInChI=1S/C15H23N5O/c1-11(21)20-8-5-12(6-9-20)19(3)15-13-4-7-16-14(13)17-10-18(15)2/h4,7,12H,5-6,8-10H2,1-3H3,(H,16,17)
InChIKeyNBEUYZWFWOWPMU-UHFFFAOYSA-N
XLogP-0.45
TPSA54.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 69048196) is 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(C)C2=c3cc[nH]c3=NCN2C)CC1.
What is the InChIKey of 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is NBEUYZWFWOWPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(21)20-8-5-12(6-9-20)19(3)15-13-4-7-16-14(13)17-10-18(15)2/h4,7,12H,5-6,8-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-(3-methyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 69048196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).