4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one

C11H18N4O — CID 136976661

IUPAC4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CCCC(C)N1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(2)15(8)14-10-6-11(16)13-7-12-10/h6-9H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyHKPNQDLSBHWRAN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds2

About 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one

4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976661) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976661
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CCCC(C)N1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(2)15(8)14-10-6-11(16)13-7-12-10/h6-9H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyHKPNQDLSBHWRAN-UHFFFAOYSA-N
XLogP1.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one (CID 136976661) is 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one is CC1CCCC(C)N1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is HKPNQDLSBHWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-3-5-9(2)15(8)14-10-6-11(16)13-7-12-10/h6-9H,3-5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one?
4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).