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

C12H21N5O — CID 136958236

IUPAC5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-8(14-2)9-5-3-4-6-17(9)11-10(13)12(18)16-7-15-11/h7-9,14H,3-6,13H2,1-2H3,(H,15,16,18)
InChIKeyXUHPJHFHRXPOLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.32
Rot. Bonds3

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

5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958236) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958236
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-8(14-2)9-5-3-4-6-17(9)11-10(13)12(18)16-7-15-11/h7-9,14H,3-6,13H2,1-2H3,(H,15,16,18)
InChIKeyXUHPJHFHRXPOLA-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
(6R,7S)-2-amino-6,7-diethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 141827576
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
CID 162725265
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 162725266

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958236) is 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CNC(C)C1CCCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XUHPJHFHRXPOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(14-2)9-5-3-4-6-17(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-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).