4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine

C17H24N6O2 — CID 97390208

IUPAC4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
SMILESCOc1cc(N2CCc3ncc(CN4CCOCC4)n3CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-24-17-10-16(19-13-20-17)22-3-2-15-18-11-14(23(15)5-4-22)12-21-6-8-25-9-7-21/h10-11,13H,2-9,12H2,1H3
InChIKeyRRNSKVDISKILSO-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.58
Rot. Bonds4

About 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine

4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine (PubChem CID 97390208) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
PubChem CID97390208
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
SMILESCOc1cc(N2CCc3ncc(CN4CCOCC4)n3CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-24-17-10-16(19-13-20-17)22-3-2-15-18-11-14(23(15)5-4-22)12-21-6-8-25-9-7-21/h10-11,13H,2-9,12H2,1H3
InChIKeyRRNSKVDISKILSO-UHFFFAOYSA-N
XLogP0.58
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine (CID 97390208) is 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine is COc1cc(N2CCc3ncc(CN4CCOCC4)n3CC2)ncn1.
What is the InChIKey of 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
The InChIKey is RRNSKVDISKILSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-24-17-10-16(19-13-20-17)22-3-2-15-18-11-14(23(15)5-4-22)12-21-6-8-25-9-7-21/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine?
4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine has a molecular weight of 344.42 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(6-methoxypyrimidin-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine is sourced from PubChem (CID 97390208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).