8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one

C17H20N6O2 — CID 134793480

IUPAC8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one
SMILESCN1Cc2ncnc(N3CCOCC3)c2CN(c2cccnc2)C1=O
InChIInChI=1S/C17H20N6O2/c1-21-11-15-14(10-23(17(21)24)13-3-2-4-18-9-13)16(20-12-19-15)22-5-7-25-8-6-22/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyAKVNPJYQMTYCOY-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.28
Rot. Bonds2

About 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one

8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one (PubChem CID 134793480) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one.

Molecular Properties

Compound Name8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one
PubChem CID134793480
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one
SMILESCN1Cc2ncnc(N3CCOCC3)c2CN(c2cccnc2)C1=O
InChIInChI=1S/C17H20N6O2/c1-21-11-15-14(10-23(17(21)24)13-3-2-4-18-9-13)16(20-12-19-15)22-5-7-25-8-6-22/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyAKVNPJYQMTYCOY-UHFFFAOYSA-N
XLogP1.28
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one with MolForge

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Related Compounds

4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
CID 152780292
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
CID 3864052
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
2-[2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915698
1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one
CID 70723953
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
tert-butyl 4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599627
(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-phenylmethanone
CID 131688529
(5-chloro-3-pyridinyl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56877933
6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155876866

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one?
The IUPAC name of 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one (CID 134793480) is 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one.
What is the SMILES notation for 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one?
The canonical SMILES for 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one is CN1Cc2ncnc(N3CCOCC3)c2CN(c2cccnc2)C1=O.
What is the InChIKey of 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one?
The InChIKey is AKVNPJYQMTYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-21-11-15-14(10-23(17(21)24)13-3-2-4-18-9-13)16(20-12-19-15)22-5-7-25-8-6-22/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one?
8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one has a molecular weight of 340.39 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-morpholin-4-yl-6-pyridin-3-yl-5,9-dihydropyrimido[4,5-e][1,3]diazepin-7-one is sourced from PubChem (CID 134793480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).