1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one

C16H22N6O — CID 126887717

IUPAC1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
SMILESCc1cc(NC2CCN(CCn3cccnc3=O)CC2)ncn1
InChIInChI=1S/C16H22N6O/c1-13-11-15(19-12-18-13)20-14-3-7-21(8-4-14)9-10-22-6-2-5-17-16(22)23/h2,5-6,11-12,14H,3-4,7-10H2,1H3,(H,18,19,20)
InChIKeyCNBBNWYZNURQJC-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.92
Rot. Bonds5

About 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one

1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one (PubChem CID 126887717) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
PubChem CID126887717
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
SMILESCc1cc(NC2CCN(CCn3cccnc3=O)CC2)ncn1
InChIInChI=1S/C16H22N6O/c1-13-11-15(19-12-18-13)20-14-3-7-21(8-4-14)9-10-22-6-2-5-17-16(22)23/h2,5-6,11-12,14H,3-4,7-10H2,1H3,(H,18,19,20)
InChIKeyCNBBNWYZNURQJC-UHFFFAOYSA-N
XLogP0.92
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one (CID 126887717) is 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one is Cc1cc(NC2CCN(CCn3cccnc3=O)CC2)ncn1.
What is the InChIKey of 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one?
The InChIKey is CNBBNWYZNURQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13-11-15(19-12-18-13)20-14-3-7-21(8-4-14)9-10-22-6-2-5-17-16(22)23/h2,5-6,11-12,14H,3-4,7-10H2,1H3,(H,18,19,20).
What are the key properties of 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one?
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 126887717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).