7,7-dimethylpyrimido[5,4-e][1,4]diazepine

C9H10N4 — CID 142157693

IUPAC7,7-dimethylpyrimido[5,4-e][1,4]diazepine
SMILESCC1(C)C=Nc2cncnc2C=N1
InChIInChI=1S/C9H10N4/c1-9(2)5-11-7-3-10-6-12-8(7)4-13-9/h3-6H,1-2H3
InChIKeyCZERGQBZUQGXPC-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.39
Rot. Bonds

About 7,7-dimethylpyrimido[5,4-e][1,4]diazepine

7,7-dimethylpyrimido[5,4-e][1,4]diazepine (PubChem CID 142157693) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 7,7-dimethylpyrimido[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name7,7-dimethylpyrimido[5,4-e][1,4]diazepine
PubChem CID142157693
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name7,7-dimethylpyrimido[5,4-e][1,4]diazepine
SMILESCC1(C)C=Nc2cncnc2C=N1
InChIInChI=1S/C9H10N4/c1-9(2)5-11-7-3-10-6-12-8(7)4-13-9/h3-6H,1-2H3
InChIKeyCZERGQBZUQGXPC-UHFFFAOYSA-N
XLogP1.39
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine
CID 142335201
6,7,7-trimethyl-8H-pteridine
CID 45099654
2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene
CID 134572837
6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
CID 21300280
8-methyl-8λ4,9-dithia-2,4,7-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 173233981
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
CID 21300207
7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
CID 71743448
pyrimido[4,5-b][1,4]oxazepine
CID 45080248
8-methylidene-7H-pyrimido[5,4-d]pyrimidine
CID 156641513
5H-pyrimido[4,5-c]azepine
CID 67370173
6,6-dimethyl-5,7-dihydropyrrolo[3,2-d]pyrimidine
CID 175273370

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylpyrimido[5,4-e][1,4]diazepine?
The IUPAC name of 7,7-dimethylpyrimido[5,4-e][1,4]diazepine (CID 142157693) is 7,7-dimethylpyrimido[5,4-e][1,4]diazepine.
What is the SMILES notation for 7,7-dimethylpyrimido[5,4-e][1,4]diazepine?
The canonical SMILES for 7,7-dimethylpyrimido[5,4-e][1,4]diazepine is CC1(C)C=Nc2cncnc2C=N1.
What is the InChIKey of 7,7-dimethylpyrimido[5,4-e][1,4]diazepine?
The InChIKey is CZERGQBZUQGXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-9(2)5-11-7-3-10-6-12-8(7)4-13-9/h3-6H,1-2H3.
What are the key properties of 7,7-dimethylpyrimido[5,4-e][1,4]diazepine?
7,7-dimethylpyrimido[5,4-e][1,4]diazepine has a molecular weight of 174.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylpyrimido[5,4-e][1,4]diazepine is sourced from PubChem (CID 142157693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).