1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

C15H24N4O — CID 95846504

IUPAC1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(NC(C)C)n2)CC1
InChIInChI=1S/C15H24N4O/c1-10(2)16-14-9-11(3)17-15(18-14)13-5-7-19(8-6-13)12(4)20/h9-10,13H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyHYRLRDPQRMMAFT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95846504) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID95846504
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(NC(C)C)n2)CC1
InChIInChI=1S/C15H24N4O/c1-10(2)16-14-9-11(3)17-15(18-14)13-5-7-19(8-6-13)12(4)20/h9-10,13H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyHYRLRDPQRMMAFT-UHFFFAOYSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95846504) is 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C)cc(NC(C)C)n2)CC1.
What is the InChIKey of 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is HYRLRDPQRMMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)16-14-9-11(3)17-15(18-14)13-5-7-19(8-6-13)12(4)20/h9-10,13H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95846504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).