4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 136857204

IUPAC4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CC2(C)C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-11(2)4-7(11)5-12-9-8(16-3)10(15)14-6-13-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyFRWHGSVUQYAPEN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.24
Rot. Bonds4

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

4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136857204) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136857204
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CC2(C)C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-11(2)4-7(11)5-12-9-8(16-3)10(15)14-6-13-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyFRWHGSVUQYAPEN-UHFFFAOYSA-N
XLogP1.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786656
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136857204) is 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2CC2(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FRWHGSVUQYAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2)4-7(11)5-12-9-8(16-3)10(15)14-6-13-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136857204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).