5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C11H17N3O3 — CID 137017317

IUPAC5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCOC2C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-8(3-4-17-7)5-12-10-9(16-2)11(15)14-6-13-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyILRLXGQILLNWMM-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.62
Rot. Bonds4

About 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137017317) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID137017317
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCOC2C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-8(3-4-17-7)5-12-10-9(16-2)11(15)14-6-13-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyILRLXGQILLNWMM-UHFFFAOYSA-N
XLogP0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586429
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675574
4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696600
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
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
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764993
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
5-methoxy-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883387
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905788

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 137017317) is 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CCOC2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ILRLXGQILLNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8(3-4-17-7)5-12-10-9(16-2)11(15)14-6-13-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137017317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).