4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one

C14H24N4O — CID 136733814

IUPAC4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2NCCCC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-4-11-17-12(8-13(19)18-11)16-9-10-14(2,3)6-5-7-15-10/h8,10,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyTYYQXWYDDZKIET-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.52
Rot. Bonds4

About 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one

4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136733814) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136733814
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2NCCCC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-4-11-17-12(8-13(19)18-11)16-9-10-14(2,3)6-5-7-15-10/h8,10,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyTYYQXWYDDZKIET-UHFFFAOYSA-N
XLogP1.52
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
4-amino-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 136077565
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-amino-2-(1-amino-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136078002
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
4-(dimethylamino)-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136345067
4-amino-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136392511
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136733814) is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCC2NCCCC2(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is TYYQXWYDDZKIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-11-17-12(8-13(19)18-11)16-9-10-14(2,3)6-5-7-15-10/h8,10,15H,4-7,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136733814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).