4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O2 — CID 137004958

IUPAC4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2OC)CCC1
InChIInChI=1S/C12H19N3O2/c1-3-12(5-4-6-12)7-13-10-9(17-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyWAZIXNMDGSSASS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds5

About 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137004958) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137004958
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2OC)CCC1
InChIInChI=1S/C12H19N3O2/c1-3-12(5-4-6-12)7-13-10-9(17-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyWAZIXNMDGSSASS-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275
4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976700
4-[(1-ethylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857200
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[[1-(aminomethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008446
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136989825

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 137004958) is 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2OC)CCC1.
What is the InChIKey of 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WAZIXNMDGSSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-12(5-4-6-12)7-13-10-9(17-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137004958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).