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

C10H16N4O — CID 14601273

IUPAC2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nccc(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C10H16N4O/c1-14(8-2-5-11-6-3-8)10-12-7-4-9(15)13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,12,13,15)
InChIKeyWQCUTLRUBKZUFF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds2

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

2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 14601273) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID14601273
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nccc(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C10H16N4O/c1-14(8-2-5-11-6-3-8)10-12-7-4-9(15)13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,12,13,15)
InChIKeyWQCUTLRUBKZUFF-UHFFFAOYSA-N
XLogP-0.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 14601273) is 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one is CN(c1nccc(=O)[nH]1)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WQCUTLRUBKZUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(8-2-5-11-6-3-8)10-12-7-4-9(15)13-10/h4,7-8,11H,2-3,5-6H2,1H3,(H,12,13,15).
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one?
2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 14601273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).