4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136948171

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2(C)CCOC2C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-11(2,4-5-17-7)14-9-8(16-3)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyMHHHXAQLNNVKAO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.76
Rot. Bonds3

About 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136948171) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136948171
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2(C)CCOC2C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7-11(2,4-5-17-7)14-9-8(16-3)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyMHHHXAQLNNVKAO-UHFFFAOYSA-N
XLogP0.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586480
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670
5-bromo-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870655
4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870656
5-chloro-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870657
5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870666
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870670
5-methoxy-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974508
4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136975426
5-methoxy-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
CID 136976493
5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136976616

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136948171) is 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2(C)CCOC2C)nc[nH]c1=O.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MHHHXAQLNNVKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-11(2,4-5-17-7)14-9-8(16-3)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136948171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).