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

C13H22N4O — CID 136805325

IUPAC4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-2-7-17(9-11-5-3-4-6-14-11)12-8-13(18)16-10-15-12/h8,10-11,14H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyLWMCMSQUTUNEBV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds5

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

4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805325) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805325
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-2-7-17(9-11-5-3-4-6-14-11)12-8-13(18)16-10-15-12/h8,10-11,14H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyLWMCMSQUTUNEBV-UHFFFAOYSA-N
XLogP1.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290
N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 106642582
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106642542
1-methyl-N-(piperidin-2-ylmethyl)-N-propylimidazol-2-amine
CID 106642484
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641853
5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 106642309

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805325) is 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCCN1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LWMCMSQUTUNEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-7-17(9-11-5-3-4-6-14-11)12-8-13(18)16-10-15-12/h8,10-11,14H,2-7,9H2,1H3,(H,15,16,18).
What are the key properties of 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).