5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C12H19N3O3 — CID 136756212

IUPAC5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C12H19N3O3/c1-17-6-5-12(3-4-12)7-13-10-9(18-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyZJPJPQVXEXALNP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds7

About 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136756212) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136756212
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C12H19N3O3/c1-17-6-5-12(3-4-12)7-13-10-9(18-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyZJPJPQVXEXALNP-UHFFFAOYSA-N
XLogP1.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852210
4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136852221
5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857184
4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136857204
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
4-[(1-cyclopropylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136948174
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951265
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136756212) is 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is COCCC1(CNc2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZJPJPQVXEXALNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-6-5-12(3-4-12)7-13-10-9(18-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136756212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).