5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

C12H21N5O — CID 136958206

IUPAC5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H21N5O/c1-8(14-2)9-4-3-5-17(6-9)11-10(13)12(18)16-7-15-11/h7-9,14H,3-6,13H2,1-2H3,(H,15,16,18)
InChIKeyNMMWYJAXAHMLLP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.18
Rot. Bonds3

About 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958206) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958206
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H21N5O/c1-8(14-2)9-4-3-5-17(6-9)11-10(13)12(18)16-7-15-11/h7-9,14H,3-6,13H2,1-2H3,(H,15,16,18)
InChIKeyNMMWYJAXAHMLLP-UHFFFAOYSA-N
XLogP0.18
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958206) is 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CNC(C)C1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NMMWYJAXAHMLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(14-2)9-4-3-5-17(6-9)11-10(13)12(18)16-7-15-11/h7-9,14H,3-6,13H2,1-2H3,(H,15,16,18).
What are the key properties of 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).