5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

C7H11N3O2 — CID 82503148

IUPAC5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-4-6-9-3-5(2-8)7(11)10-6/h3H,2,4,8H2,1H3,(H,9,10,11)
InChIKeySTPWZXVBUIXERC-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.62
Rot. Bonds3

About 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 82503148) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID82503148
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-4-6-9-3-5(2-8)7(11)10-6/h3H,2,4,8H2,1H3,(H,9,10,11)
InChIKeySTPWZXVBUIXERC-UHFFFAOYSA-N
XLogP-0.62
TPSA81.00 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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 82503148) is 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is STPWZXVBUIXERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-4-6-9-3-5(2-8)7(11)10-6/h3H,2,4,8H2,1H3,(H,9,10,11).
What are the key properties of 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82503148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).