6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

C18H27N5O2 — CID 134790042

IUPAC6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCN1CC(=O)N(C2CCCCC2)Cc2c1ncnc2N1CCOCC1
InChIInChI=1S/C18H27N5O2/c1-21-12-16(24)23(14-5-3-2-4-6-14)11-15-17(21)19-13-20-18(15)22-7-9-25-10-8-22/h13-14H,2-12H2,1H3
InChIKeyCHWQWJHCLWUVGM-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.42
Rot. Bonds2

About 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (PubChem CID 134790042) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
PubChem CID134790042
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCN1CC(=O)N(C2CCCCC2)Cc2c1ncnc2N1CCOCC1
InChIInChI=1S/C18H27N5O2/c1-21-12-16(24)23(14-5-3-2-4-6-14)11-15-17(21)19-13-20-18(15)22-7-9-25-10-8-22/h13-14H,2-12H2,1H3
InChIKeyCHWQWJHCLWUVGM-UHFFFAOYSA-N
XLogP1.42
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The IUPAC name of 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (CID 134790042) is 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.
What is the SMILES notation for 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The canonical SMILES for 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is CN1CC(=O)N(C2CCCCC2)Cc2c1ncnc2N1CCOCC1.
What is the InChIKey of 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The InChIKey is CHWQWJHCLWUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-21-12-16(24)23(14-5-3-2-4-6-14)11-15-17(21)19-13-20-18(15)22-7-9-25-10-8-22/h13-14H,2-12H2,1H3.
What are the key properties of 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one has a molecular weight of 345.45 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-9-methyl-4-morpholin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is sourced from PubChem (CID 134790042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).