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

C14H22N4O — CID 136780735

IUPAC2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESCN(C)C1(CNc2cc(=O)[nH]c(C3CC3)n2)CCC1
InChIInChI=1S/C14H22N4O/c1-18(2)14(6-3-7-14)9-15-11-8-12(19)17-13(16-11)10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyUWYRIHQPHDQRDX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.54
Rot. Bonds5

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

2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136780735) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136780735
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESCN(C)C1(CNc2cc(=O)[nH]c(C3CC3)n2)CCC1
InChIInChI=1S/C14H22N4O/c1-18(2)14(6-3-7-14)9-15-11-8-12(19)17-13(16-11)10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyUWYRIHQPHDQRDX-UHFFFAOYSA-N
XLogP1.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one (CID 136780735) is 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one is CN(C)C1(CNc2cc(=O)[nH]c(C3CC3)n2)CCC1.
What is the InChIKey of 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is UWYRIHQPHDQRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)14(6-3-7-14)9-15-11-8-12(19)17-13(16-11)10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).