4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one

C12H20N4O — CID 136976664

IUPAC4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NN2C(C)CCCC2C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-5-4-6-9(2)16(8)15-11-7-12(17)14-10(3)13-11/h7-9H,4-6H2,1-3H3,(H2,13,14,15,17)
InChIKeyBUSRSTJWVLMLTK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.67
Rot. Bonds2

About 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136976664) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136976664
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NN2C(C)CCCC2C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-5-4-6-9(2)16(8)15-11-7-12(17)14-10(3)13-11/h7-9H,4-6H2,1-3H3,(H2,13,14,15,17)
InChIKeyBUSRSTJWVLMLTK-UHFFFAOYSA-N
XLogP1.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136976664) is 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NN2C(C)CCCC2C)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BUSRSTJWVLMLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-4-6-9(2)16(8)15-11-7-12(17)14-10(3)13-11/h7-9H,4-6H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).