1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

C15H18N6O — CID 95815234

IUPAC1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1
InChIInChI=1S/C15H18N6O/c1-11(22)21-6-3-12(4-7-21)14-2-5-18-15(20-14)19-13-8-16-10-17-9-13/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,18,19,20)
InChIKeyZXMVNSUKHWRDIW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 95815234) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID95815234
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1
InChIInChI=1S/C15H18N6O/c1-11(22)21-6-3-12(4-7-21)14-2-5-18-15(20-14)19-13-8-16-10-17-9-13/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,18,19,20)
InChIKeyZXMVNSUKHWRDIW-UHFFFAOYSA-N
XLogP1.74
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 95815234) is 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1.
What is the InChIKey of 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is ZXMVNSUKHWRDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(22)21-6-3-12(4-7-21)14-2-5-18-15(20-14)19-13-8-16-10-17-9-13/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,18,19,20).
What are the key properties of 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 298.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95815234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).