N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine

C8H7N5 — CID 68597429

IUPACN-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine
SMILESC=NNc1ncnc2cnccc12
InChIInChI=1S/C8H7N5/c1-9-13-8-6-2-3-10-4-7(6)11-5-12-8/h2-5H,1H2,(H,11,12,13)
InChIKeyHGMZDPDVWRIPBR-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.05
Rot. Bonds2

About N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine

N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 68597429) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID68597429
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC NameN-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine
SMILESC=NNc1ncnc2cnccc12
InChIInChI=1S/C8H7N5/c1-9-13-8-6-2-3-10-4-7(6)11-5-12-8/h2-5H,1H2,(H,11,12,13)
InChIKeyHGMZDPDVWRIPBR-UHFFFAOYSA-N
XLogP1.05
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine (CID 68597429) is N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine is C=NNc1ncnc2cnccc12.
What is the InChIKey of N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HGMZDPDVWRIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-9-13-8-6-2-3-10-4-7(6)11-5-12-8/h2-5H,1H2,(H,11,12,13).
What are the key properties of N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine?
N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 173.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 68597429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).