1-methylpteridin-4-imine

C7H7N5 — CID 23422110

IUPAC1-methylpteridin-4-imine
SMILES[H]/N=c1\ncn(C)c2nccnc12
InChIInChI=1S/C7H7N5/c1-12-4-11-6(8)5-7(12)10-3-2-9-5/h2-4,8H,1H3/b8-6-
InChIKeyPDCWQPWJLDVKEE-VURMDHGXSA-N
MW161.17 g/mol
LogP-0.16
Rot. Bonds

About 1-methylpteridin-4-imine

1-methylpteridin-4-imine (PubChem CID 23422110) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 1-methylpteridin-4-imine.

Molecular Properties

Compound Name1-methylpteridin-4-imine
PubChem CID23422110
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name1-methylpteridin-4-imine
SMILES[H]/N=c1\ncn(C)c2nccnc12
InChIInChI=1S/C7H7N5/c1-12-4-11-6(8)5-7(12)10-3-2-9-5/h2-4,8H,1H3/b8-6-
InChIKeyPDCWQPWJLDVKEE-VURMDHGXSA-N
XLogP-0.16
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylpteridin-4-imine?
The IUPAC name of 1-methylpteridin-4-imine (CID 23422110) is 1-methylpteridin-4-imine.
What is the SMILES notation for 1-methylpteridin-4-imine?
The canonical SMILES for 1-methylpteridin-4-imine is [H]/N=c1\ncn(C)c2nccnc12.
What is the InChIKey of 1-methylpteridin-4-imine?
The InChIKey is PDCWQPWJLDVKEE-VURMDHGXSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-4-11-6(8)5-7(12)10-3-2-9-5/h2-4,8H,1H3/b8-6-.
What are the key properties of 1-methylpteridin-4-imine?
1-methylpteridin-4-imine has a molecular weight of 161.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpteridin-4-imine is sourced from PubChem (CID 23422110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).