1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one

C15H24N4O2 — CID 50951192

IUPAC1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc(NCC2CCN(C(=O)C(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-11(2)15(20)19-6-4-12(5-7-19)9-16-13-8-14(21-3)18-10-17-13/h8,10-12H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyWMMDWDLCQOUGOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds5

About 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 50951192) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID50951192
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc(NCC2CCN(C(=O)C(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-11(2)15(20)19-6-4-12(5-7-19)9-16-13-8-14(21-3)18-10-17-13/h8,10-12H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyWMMDWDLCQOUGOZ-UHFFFAOYSA-N
XLogP1.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 50951192) is 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one is COc1cc(NCC2CCN(C(=O)C(C)C)CC2)ncn1.
What is the InChIKey of 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is WMMDWDLCQOUGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)15(20)19-6-4-12(5-7-19)9-16-13-8-14(21-3)18-10-17-13/h8,10-12H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 50951192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).