5,8-dihydropyrimido[4,5-d]pyridazin-4-amine

C6H7N5 — CID 123187409

IUPAC5,8-dihydropyrimido[4,5-d]pyridazin-4-amine
SMILESNc1ncnc2c1CN=NC2
InChIInChI=1S/C6H7N5/c7-6-4-1-10-11-2-5(4)8-3-9-6/h3H,1-2H2,(H2,7,8,9)
InChIKeyQXMKZUCMGDMJBY-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.52
Rot. Bonds

About 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine

5,8-dihydropyrimido[4,5-d]pyridazin-4-amine (PubChem CID 123187409) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound Name5,8-dihydropyrimido[4,5-d]pyridazin-4-amine
PubChem CID123187409
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name5,8-dihydropyrimido[4,5-d]pyridazin-4-amine
SMILESNc1ncnc2c1CN=NC2
InChIInChI=1S/C6H7N5/c7-6-4-1-10-11-2-5(4)8-3-9-6/h3H,1-2H2,(H2,7,8,9)
InChIKeyQXMKZUCMGDMJBY-UHFFFAOYSA-N
XLogP0.52
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6,7,8-tetrahydroquinazolin-4-amine
CID 45079028
6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 82417454
7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 175186204
7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 158526538
5H-cyclopenta[d]pyrimidin-4-amine
CID 58158388
5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
CID 83815401
7,8-dihydropyrido[3,2-d]pyrimidin-4-amine;ethane
CID 143410514
2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine
CID 150783600
5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine
CID 130618597
7-methyl-7,8-dihydroquinazolin-4-amine
CID 135259181
7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
CID 142226705
7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 146615715

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine?
The IUPAC name of 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine (CID 123187409) is 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine.
What is the SMILES notation for 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine?
The canonical SMILES for 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine is Nc1ncnc2c1CN=NC2.
What is the InChIKey of 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine?
The InChIKey is QXMKZUCMGDMJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c7-6-4-1-10-11-2-5(4)8-3-9-6/h3H,1-2H2,(H2,7,8,9).
What are the key properties of 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine?
5,8-dihydropyrimido[4,5-d]pyridazin-4-amine has a molecular weight of 149.16 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydropyrimido[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 123187409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).