4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H24N4O — CID 136780742

IUPAC4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(N(C)C)CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)13-16-11(8-12(19)17-13)15-9-14(18(3)4)6-5-7-14/h8,10H,5-7,9H2,1-4H3,(H2,15,16,17,19)
InChIKeyZWCARTSGGRBGKN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136780742) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136780742
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(N(C)C)CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)13-16-11(8-12(19)17-13)15-9-14(18(3)4)6-5-7-14/h8,10H,5-7,9H2,1-4H3,(H2,15,16,17,19)
InChIKeyZWCARTSGGRBGKN-UHFFFAOYSA-N
XLogP1.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136780742) is 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(N(C)C)CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZWCARTSGGRBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13-16-11(8-12(19)17-13)15-9-14(18(3)4)6-5-7-14/h8,10H,5-7,9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.79, 5 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]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).