6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

C15H21N5O — CID 134788619

IUPAC6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCN1CC(=O)N(C2CCC2)Cc2c(NC3CC3)ncnc21
InChIInChI=1S/C15H21N5O/c1-19-8-13(21)20(11-3-2-4-11)7-12-14(18-10-5-6-10)16-9-17-15(12)19/h9-11H,2-8H2,1H3,(H,16,17,18)
InChIKeyIZBIGYOKGUQYBS-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.38
Rot. Bonds3

About 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (PubChem CID 134788619) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
PubChem CID134788619
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCN1CC(=O)N(C2CCC2)Cc2c(NC3CC3)ncnc21
InChIInChI=1S/C15H21N5O/c1-19-8-13(21)20(11-3-2-4-11)7-12-14(18-10-5-6-10)16-9-17-15(12)19/h9-11H,2-8H2,1H3,(H,16,17,18)
InChIKeyIZBIGYOKGUQYBS-UHFFFAOYSA-N
XLogP1.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The IUPAC name of 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (CID 134788619) is 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.
What is the SMILES notation for 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The canonical SMILES for 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is CN1CC(=O)N(C2CCC2)Cc2c(NC3CC3)ncnc21.
What is the InChIKey of 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The InChIKey is IZBIGYOKGUQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19-8-13(21)20(11-3-2-4-11)7-12-14(18-10-5-6-10)16-9-17-15(12)19/h9-11H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one has a molecular weight of 287.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-(cyclopropylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is sourced from PubChem (CID 134788619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).