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

C11H18N4O — CID 136780738

IUPAC4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESCN(C)C1(CNc2cc(=O)[nH]cn2)CCC1
InChIInChI=1S/C11H18N4O/c1-15(2)11(4-3-5-11)7-12-9-6-10(16)14-8-13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyVFFNGQYDZVUXEY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds4

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

4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136780738) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136780738
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESCN(C)C1(CNc2cc(=O)[nH]cn2)CCC1
InChIInChI=1S/C11H18N4O/c1-15(2)11(4-3-5-11)7-12-9-6-10(16)14-8-13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyVFFNGQYDZVUXEY-UHFFFAOYSA-N
XLogP0.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780756

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one (CID 136780738) is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one is CN(C)C1(CNc2cc(=O)[nH]cn2)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is VFFNGQYDZVUXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(2)11(4-3-5-11)7-12-9-6-10(16)14-8-13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).