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

C11H17N3O4 — CID 136976943

IUPAC5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(OC)CCOC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-16-8-9(13-7-14-10(8)15)12-5-11(17-2)3-4-18-6-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKKCSLXZULWBFGL-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.00
Rot. Bonds5

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

5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976943) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976943
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(OC)CCOC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-16-8-9(13-7-14-10(8)15)12-5-11(17-2)3-4-18-6-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKKCSLXZULWBFGL-UHFFFAOYSA-N
XLogP-0.00
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675564
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675574
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764974
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864249
5-iodo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957246
5-bromo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957248
4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957249
5-methoxy-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974508
5-methoxy-4-[4-(2-methoxyethoxy)butylamino]-1H-pyrimidin-6-one
CID 136976953
5-methoxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136990015

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136976943) is 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(OC)CCOC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KKCSLXZULWBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-16-8-9(13-7-14-10(8)15)12-5-11(17-2)3-4-18-6-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).