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

C10H15N3O3 — CID 136976616

IUPAC5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCOC2C)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-7(3-4-16-6)13-9-8(15-2)10(14)12-5-11-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyYPJSVYIFBKKZHM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.37
Rot. Bonds3

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

5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976616) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976616
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCOC2C)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-7(3-4-16-6)13-9-8(15-2)10(14)12-5-11-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyYPJSVYIFBKKZHM-UHFFFAOYSA-N
XLogP0.37
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136976616) is 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCOC2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is YPJSVYIFBKKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-7(3-4-16-6)13-9-8(15-2)10(14)12-5-11-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of 0.37, 3 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)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).