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

C12H20N4O — CID 136869173

IUPAC4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(N)CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)11-15-9(6-10(17)16-11)14-7-12(13)4-3-5-12/h6,8H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyLLJIUHPWFAMROV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds4

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

4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136869173) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136869173
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(N)CCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)11-15-9(6-10(17)16-11)14-7-12(13)4-3-5-12/h6,8H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyLLJIUHPWFAMROV-UHFFFAOYSA-N
XLogP1.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136869173) is 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(N)CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LLJIUHPWFAMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)11-15-9(6-10(17)16-11)14-7-12(13)4-3-5-12/h6,8H,3-5,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136869173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).