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

C13H19N3O2 — CID 136696647

IUPAC2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCC1
InChIInChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)8-14-10-7-11(17)16-12(15-10)9-3-4-9/h7,9H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyCWQFEMIAAPDSSF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds5

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

2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136696647) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136696647
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCC1
InChIInChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)8-14-10-7-11(17)16-12(15-10)9-3-4-9/h7,9H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyCWQFEMIAAPDSSF-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 113604896
4-[(1-methoxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136696643
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716213
4-(3-methoxy-3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136716216
4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764985
2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786673
2-cyclopropyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817768
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136696647) is 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is COC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCC1.
What is the InChIKey of 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CWQFEMIAAPDSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)8-14-10-7-11(17)16-12(15-10)9-3-4-9/h7,9H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.63, 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-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).