4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one

C12H20N4O — CID 136780760

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-15(2)12(5-4-6-12)8-16(3)10-7-11(17)14-9-13-10/h7,9H,4-6,8H2,1-3H3,(H,13,14,17)
InChIKeyYFVIBROQLKFUFP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.69
Rot. Bonds4

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136780760) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136780760
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(N(C)C)CCC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-15(2)12(5-4-6-12)8-16(3)10-7-11(17)14-9-13-10/h7,9H,4-6,8H2,1-3H3,(H,13,14,17)
InChIKeyYFVIBROQLKFUFP-UHFFFAOYSA-N
XLogP0.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731508
4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757122
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757525
2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780735
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780736
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780737
4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780738
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780739
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136780742
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780755

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one (CID 136780760) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one is CN(CC1(N(C)C)CCC1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is YFVIBROQLKFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)12(5-4-6-12)8-16(3)10-7-11(17)14-9-13-10/h7,9H,4-6,8H2,1-3H3,(H,13,14,17).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).