4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 136978761

IUPAC4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CCC1N
InChIInChI=1S/C10H16N4O/c1-7-5-14(3-2-8(7)11)9-4-10(15)13-6-12-9/h4,6-8H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyPCAGILDTBLGNQO-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.06
Rot. Bonds1

About 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136978761) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136978761
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CCC1N
InChIInChI=1S/C10H16N4O/c1-7-5-14(3-2-8(7)11)9-4-10(15)13-6-12-9/h4,6-8H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyPCAGILDTBLGNQO-UHFFFAOYSA-N
XLogP-0.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136978761) is 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]cn2)CCC1N.
What is the InChIKey of 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PCAGILDTBLGNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-5-14(3-2-8(7)11)9-4-10(15)13-6-12-9/h4,6-8H,2-3,5,11H2,1H3,(H,12,13,15).
What are the key properties of 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).