4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C14H18N6O — CID 146038047

IUPAC4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(c3cncc(N)n3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H18N6O/c1-9-17-11(6-14(21)18-9)10-2-4-20(5-3-10)13-8-16-7-12(15)19-13/h6-8,10H,2-5H2,1H3,(H2,15,19)(H,17,18,21)
InChIKeyKEDFWCNELUCJLT-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.83
Rot. Bonds2

About 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 146038047) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID146038047
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(c3cncc(N)n3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H18N6O/c1-9-17-11(6-14(21)18-9)10-2-4-20(5-3-10)13-8-16-7-12(15)19-13/h6-8,10H,2-5H2,1H3,(H2,15,19)(H,17,18,21)
InChIKeyKEDFWCNELUCJLT-UHFFFAOYSA-N
XLogP0.83
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 146038047) is 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(c3cncc(N)n3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KEDFWCNELUCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-17-11(6-14(21)18-9)10-2-4-20(5-3-10)13-8-16-7-12(15)19-13/h6-8,10H,2-5H2,1H3,(H2,15,19)(H,17,18,21).
What are the key properties of 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 286.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 146038047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).