N-methoxypyrimidin-2-amine

C5H7N3O — CID 89077854

IUPACN-methoxypyrimidin-2-amine
SMILESCONc1ncccn1
InChIInChI=1S/C5H7N3O/c1-9-8-5-6-3-2-4-7-5/h2-4H,1H3,(H,6,7,8)
InChIKeyJKXFPBGNBINGOC-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.45
Rot. Bonds2

About N-methoxypyrimidin-2-amine

N-methoxypyrimidin-2-amine (PubChem CID 89077854) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is N-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-methoxypyrimidin-2-amine
PubChem CID89077854
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC NameN-methoxypyrimidin-2-amine
SMILESCONc1ncccn1
InChIInChI=1S/C5H7N3O/c1-9-8-5-6-3-2-4-7-5/h2-4H,1H3,(H,6,7,8)
InChIKeyJKXFPBGNBINGOC-UHFFFAOYSA-N
XLogP0.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxypyrimidin-2-amine?
The IUPAC name of N-methoxypyrimidin-2-amine (CID 89077854) is N-methoxypyrimidin-2-amine.
What is the SMILES notation for N-methoxypyrimidin-2-amine?
The canonical SMILES for N-methoxypyrimidin-2-amine is CONc1ncccn1.
What is the InChIKey of N-methoxypyrimidin-2-amine?
The InChIKey is JKXFPBGNBINGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-9-8-5-6-3-2-4-7-5/h2-4H,1H3,(H,6,7,8).
What are the key properties of N-methoxypyrimidin-2-amine?
N-methoxypyrimidin-2-amine has a molecular weight of 125.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypyrimidin-2-amine is sourced from PubChem (CID 89077854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).