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

C12H20N4O — CID 136733820

IUPAC4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCNC1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-12(2)4-3-5-13-9(12)7-14-10-6-11(17)16-8-15-10/h6,8-9,13H,3-5,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNXSYZXIICVVZHE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds3

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

4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136733820) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136733820
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCNC1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-12(2)4-3-5-13-9(12)7-14-10-6-11(17)16-8-15-10/h6,8-9,13H,3-5,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNXSYZXIICVVZHE-UHFFFAOYSA-N
XLogP0.96
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
4-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 173826255
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-1H-pyrimidin-6-one
CID 136687966
4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731878
2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733813
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136733814
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136733815
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816
5-bromo-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733817

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136733820) is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is CC1(C)CCCNC1CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NXSYZXIICVVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2)4-3-5-13-9(12)7-14-10-6-11(17)16-8-15-10/h6,8-9,13H,3-5,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.96, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136733820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).