5-methoxypyrimidin-4-amine

C5H7N3O — CID 817704

IUPAC5-methoxypyrimidin-4-amine
SMILESCOc1cncnc1N
InChIInChI=1S/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
InChIKeySEEZTIHVTBTNSZ-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.07
Rot. Bonds1

About 5-methoxypyrimidin-4-amine

5-methoxypyrimidin-4-amine (PubChem CID 817704) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxypyrimidin-4-amine
PubChem CID817704
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name5-methoxypyrimidin-4-amine
SMILESCOc1cncnc1N
InChIInChI=1S/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
InChIKeySEEZTIHVTBTNSZ-UHFFFAOYSA-N
XLogP0.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrimidin-4-amine?
The IUPAC name of 5-methoxypyrimidin-4-amine (CID 817704) is 5-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-methoxypyrimidin-4-amine?
The canonical SMILES for 5-methoxypyrimidin-4-amine is COc1cncnc1N.
What is the InChIKey of 5-methoxypyrimidin-4-amine?
The InChIKey is SEEZTIHVTBTNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8).
What are the key properties of 5-methoxypyrimidin-4-amine?
5-methoxypyrimidin-4-amine has a molecular weight of 125.13 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrimidin-4-amine is sourced from PubChem (CID 817704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).