4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C11H18N4O — CID 136958128

IUPAC4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CN(C)CCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-8-6-15(2)4-3-9(8)14-10-5-11(16)13-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyYBOOWONSSMFATR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds2

About 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136958128) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136958128
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CN(C)CCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-8-6-15(2)4-3-9(8)14-10-5-11(16)13-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyYBOOWONSSMFATR-UHFFFAOYSA-N
XLogP0.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137015708
4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136957054
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996
4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956826
N-(1,3-dimethylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 18723319
3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 114504666
2-cyclopropyl-N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 114506697
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
CID 114506746
4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one
CID 136976661
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506573
2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114504534
5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 114504898

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136958128) is 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1CN(C)CCC1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is YBOOWONSSMFATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-15(2)4-3-9(8)14-10-5-11(16)13-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).