5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C11H19N5O — CID 136805312

IUPAC5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N5O/c1-16(6-8-4-2-3-5-13-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6,12H2,1H3,(H,14,15,17)
InChIKeyUKWIAAXSUFGKDU-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.07
Rot. Bonds3

About 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805312) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805312
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N5O/c1-16(6-8-4-2-3-5-13-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6,12H2,1H3,(H,14,15,17)
InChIKeyUKWIAAXSUFGKDU-UHFFFAOYSA-N
XLogP-0.07
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-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
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
3,7-Dimethyl-7-[5-(methylamino)hexyl]purin-7-ium-2,6-dione
CID 54114422
7-(5-Aminohexyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 54534836
6(s)-Propyl-tetrahydropterin
CID 135518060
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805312) is 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCCN1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UKWIAAXSUFGKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(6-8-4-2-3-5-13-8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6,12H2,1H3,(H,14,15,17).
What are the key properties of 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).