4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one

C13H22N4O — CID 137315398

IUPAC4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCC2CCN(C)CC2)c(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9-15-12(14)11(13(18)16-9)4-3-10-5-7-17(2)8-6-10/h10H,3-8H2,1-2H3,(H3,14,15,16,18)
InChIKeyFNDOCRGMUKMYQQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.93
Rot. Bonds3

About 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one

4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one (PubChem CID 137315398) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one
PubChem CID137315398
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCC2CCN(C)CC2)c(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9-15-12(14)11(13(18)16-9)4-3-10-5-7-17(2)8-6-10/h10H,3-8H2,1-2H3,(H3,14,15,16,18)
InChIKeyFNDOCRGMUKMYQQ-UHFFFAOYSA-N
XLogP0.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one (CID 137315398) is 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one is Cc1nc(N)c(CCC2CCN(C)CC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is FNDOCRGMUKMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-15-12(14)11(13(18)16-9)4-3-10-5-7-17(2)8-6-10/h10H,3-8H2,1-2H3,(H3,14,15,16,18).
What are the key properties of 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one?
4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137315398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).