4H-pyrimido[4,5-c]diazepine

C7H6N4 — CID 57198261

IUPAC4H-pyrimido[4,5-c]diazepine
SMILESC1=NN=c2ncncc2=CC1
InChIInChI=1S/C7H6N4/c1-2-6-4-8-5-9-7(6)11-10-3-1/h2-5H,1H2
InChIKeyIDOFIIIPFXBYSZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.73
Rot. Bonds

About 4H-pyrimido[4,5-c]diazepine

4H-pyrimido[4,5-c]diazepine (PubChem CID 57198261) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4H-pyrimido[4,5-c]diazepine.

Molecular Properties

Compound Name4H-pyrimido[4,5-c]diazepine
PubChem CID57198261
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name4H-pyrimido[4,5-c]diazepine
SMILESC1=NN=c2ncncc2=CC1
InChIInChI=1S/C7H6N4/c1-2-6-4-8-5-9-7(6)11-10-3-1/h2-5H,1H2
InChIKeyIDOFIIIPFXBYSZ-UHFFFAOYSA-N
XLogP-0.73
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Iminopyrido[2,3-d]pyrimidine
CID 129872827
6,8a-Dihydropyrido[2,3-d]pyrimidine
CID 134821204
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
6,7-Dihydropyrido[2,3-d]pyrimidine
CID 144007413
6H-triazino[4,5-d][1,3]diazepine
CID 169628821
4,6-dideuterio-5H-pyrazolo[3,4-b]pyridine
CID 177761991

Frequently Asked Questions

What is the IUPAC name of 4H-pyrimido[4,5-c]diazepine?
The IUPAC name of 4H-pyrimido[4,5-c]diazepine (CID 57198261) is 4H-pyrimido[4,5-c]diazepine.
What is the SMILES notation for 4H-pyrimido[4,5-c]diazepine?
The canonical SMILES for 4H-pyrimido[4,5-c]diazepine is C1=NN=c2ncncc2=CC1.
What is the InChIKey of 4H-pyrimido[4,5-c]diazepine?
The InChIKey is IDOFIIIPFXBYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-6-4-8-5-9-7(6)11-10-3-1/h2-5H,1H2.
What are the key properties of 4H-pyrimido[4,5-c]diazepine?
4H-pyrimido[4,5-c]diazepine has a molecular weight of 146.15 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrimido[4,5-c]diazepine is sourced from PubChem (CID 57198261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).