2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one

C7H11N3O2 — CID 136818889

IUPAC2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C7H11N3O2/c1-8-5-3-7(11)10-6(9-5)4-12-2/h3H,4H2,1-2H3,(H2,8,9,10,11)
InChIKeyAMOYOUYWILATBH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.04
Rot. Bonds3

About 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one

2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 136818889) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
PubChem CID136818889
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C7H11N3O2/c1-8-5-3-7(11)10-6(9-5)4-12-2/h3H,4H2,1-2H3,(H2,8,9,10,11)
InChIKeyAMOYOUYWILATBH-UHFFFAOYSA-N
XLogP-0.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one (CID 136818889) is 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one is CNc1cc(=O)[nH]c(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is AMOYOUYWILATBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-5-3-7(11)10-6(9-5)4-12-2/h3H,4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136818889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).