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

C7H11N3O2 — CID 82412906

IUPAC4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one
SMILESCOCc1cc(CN)nc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-4-6-2-5(3-8)9-7(11)10-6/h2H,3-4,8H2,1H3,(H,9,10,11)
InChIKeyJROFPXMJDCFQKW-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.62
Rot. Bonds3

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

4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one (PubChem CID 82412906) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one
PubChem CID82412906
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one
SMILESCOCc1cc(CN)nc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-4-6-2-5(3-8)9-7(11)10-6/h2H,3-4,8H2,1H3,(H,9,10,11)
InChIKeyJROFPXMJDCFQKW-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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Related Compounds

4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
3,5-bis(methoxymethyl)-1H-pyrazole
CID 68529485
[2-cyclopropyl-6-(methoxymethyl)pyrimidin-4-yl]methanamine
CID 121206851
4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236
methyl 6-(methoxymethyl)-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106477619
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
CID 122239218
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135934367
1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 156589610
6-ethyl-4-propan-2-yl-1H-pyrimidin-2-one
CID 130056096

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one (CID 82412906) is 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one is COCc1cc(CN)nc(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one?
The InChIKey is JROFPXMJDCFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-4-6-2-5(3-8)9-7(11)10-6/h2H,3-4,8H2,1H3,(H,9,10,11).
What are the key properties of 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one?
4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-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 4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82412906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).