7-methoxypteridin-4-amine

C7H7N5O — CID 75525666

IUPAC7-methoxypteridin-4-amine
SMILESCOc1cnc2c(N)ncnc2n1
InChIInChI=1S/C7H7N5O/c1-13-4-2-9-5-6(8)10-3-11-7(5)12-4/h2-3H,1H3,(H2,8,10,11,12)
InChIKeyLPKHCRYSAZRFQR-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.01
Rot. Bonds1

About 7-methoxypteridin-4-amine

7-methoxypteridin-4-amine (PubChem CID 75525666) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 7-methoxypteridin-4-amine.

Molecular Properties

Compound Name7-methoxypteridin-4-amine
PubChem CID75525666
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name7-methoxypteridin-4-amine
SMILESCOc1cnc2c(N)ncnc2n1
InChIInChI=1S/C7H7N5O/c1-13-4-2-9-5-6(8)10-3-11-7(5)12-4/h2-3H,1H3,(H2,8,10,11,12)
InChIKeyLPKHCRYSAZRFQR-UHFFFAOYSA-N
XLogP0.01
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxypteridin-4-amine?
The IUPAC name of 7-methoxypteridin-4-amine (CID 75525666) is 7-methoxypteridin-4-amine.
What is the SMILES notation for 7-methoxypteridin-4-amine?
The canonical SMILES for 7-methoxypteridin-4-amine is COc1cnc2c(N)ncnc2n1.
What is the InChIKey of 7-methoxypteridin-4-amine?
The InChIKey is LPKHCRYSAZRFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-13-4-2-9-5-6(8)10-3-11-7(5)12-4/h2-3H,1H3,(H2,8,10,11,12).
What are the key properties of 7-methoxypteridin-4-amine?
7-methoxypteridin-4-amine has a molecular weight of 177.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxypteridin-4-amine is sourced from PubChem (CID 75525666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).