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

C12H21N5O — CID 136978310

IUPAC5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-14-5-2-9-3-6-17(7-4-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7,13H2,1H3,(H,15,16,18)
InChIKeyMWXJBROJSWVORO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.18
Rot. Bonds4

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

5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136978310) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136978310
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-14-5-2-9-3-6-17(7-4-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7,13H2,1H3,(H,15,16,18)
InChIKeyMWXJBROJSWVORO-UHFFFAOYSA-N
XLogP0.18
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-chloro-4-[3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978058
5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136869158
5-amino-4-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136978294

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136978310) is 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CNCCC1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MWXJBROJSWVORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-14-5-2-9-3-6-17(7-4-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7,13H2,1H3,(H,15,16,18).
What are the key properties of 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).