N,1-dimethylpteridin-4-imine

C8H9N5 — CID 23422112

IUPACN,1-dimethylpteridin-4-imine
SMILESC/N=c1\ncn(C)c2nccnc12
InChIInChI=1S/C8H9N5/c1-9-7-6-8(11-4-3-10-6)13(2)5-12-7/h3-5H,1-2H3/b9-7-
InChIKeyMZVWHHHWWDNLON-CLFYSBASSA-N
MW175.19 g/mol
LogP-0.11
Rot. Bonds

About N,1-dimethylpteridin-4-imine

N,1-dimethylpteridin-4-imine (PubChem CID 23422112) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N,1-dimethylpteridin-4-imine.

Molecular Properties

Compound NameN,1-dimethylpteridin-4-imine
PubChem CID23422112
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN,1-dimethylpteridin-4-imine
SMILESC/N=c1\ncn(C)c2nccnc12
InChIInChI=1S/C8H9N5/c1-9-7-6-8(11-4-3-10-6)13(2)5-12-7/h3-5H,1-2H3/b9-7-
InChIKeyMZVWHHHWWDNLON-CLFYSBASSA-N
XLogP-0.11
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpteridin-4-imine?
The IUPAC name of N,1-dimethylpteridin-4-imine (CID 23422112) is N,1-dimethylpteridin-4-imine.
What is the SMILES notation for N,1-dimethylpteridin-4-imine?
The canonical SMILES for N,1-dimethylpteridin-4-imine is C/N=c1\ncn(C)c2nccnc12.
What is the InChIKey of N,1-dimethylpteridin-4-imine?
The InChIKey is MZVWHHHWWDNLON-CLFYSBASSA-N. The full InChI is InChI=1S/C8H9N5/c1-9-7-6-8(11-4-3-10-6)13(2)5-12-7/h3-5H,1-2H3/b9-7-.
What are the key properties of N,1-dimethylpteridin-4-imine?
N,1-dimethylpteridin-4-imine has a molecular weight of 175.19 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpteridin-4-imine is sourced from PubChem (CID 23422112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).