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

C13H22N4O — CID 136733815

IUPAC4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2NCCCC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9-16-11(7-12(18)17-9)15-8-10-13(2,3)5-4-6-14-10/h7,10,14H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyQKMVZXZNMYIAJO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.27
Rot. Bonds3

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

4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136733815) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136733815
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2NCCCC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9-16-11(7-12(18)17-9)15-8-10-13(2,3)5-4-6-14-10/h7,10,14H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyQKMVZXZNMYIAJO-UHFFFAOYSA-N
XLogP1.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.27
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
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136326819
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
4-amino-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136392511
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018
4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136672019
4-[(2-amino-1-cyclopentylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672023
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136687964

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136733815) is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC2NCCCC2(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QKMVZXZNMYIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-16-11(7-12(18)17-9)15-8-10-13(2,3)5-4-6-14-10/h7,10,14H,4-6,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.27, 3 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136733815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).