6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C14H19N5O2 — CID 131650556

IUPAC6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOCC1CN(c2cc(OC)ncn2)Cc2cncn2C1
InChIInChI=1S/C14H19N5O2/c1-20-8-11-5-18(7-12-4-15-10-19(12)6-11)13-3-14(21-2)17-9-16-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMARNXJHQOWOJOR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.96
Rot. Bonds4

About 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 131650556) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID131650556
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOCC1CN(c2cc(OC)ncn2)Cc2cncn2C1
InChIInChI=1S/C14H19N5O2/c1-20-8-11-5-18(7-12-4-15-10-19(12)6-11)13-3-14(21-2)17-9-16-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMARNXJHQOWOJOR-UHFFFAOYSA-N
XLogP0.96
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 131650556) is 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is COCC1CN(c2cc(OC)ncn2)Cc2cncn2C1.
What is the InChIKey of 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is MARNXJHQOWOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-8-11-5-18(7-12-4-15-10-19(12)6-11)13-3-14(21-2)17-9-16-13/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 289.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 131650556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).