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

C14H19N5O2 — CID 97483807

IUPAC(6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOC[C@H]1CN(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/t11-/m0/s1
InChIKeyMARNXJHQOWOJOR-NSHDSACASA-N
MW289.34 g/mol
LogP0.96
Rot. Bonds4

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

(6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97483807) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97483807
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOC[C@H]1CN(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/t11-/m0/s1
InChIKeyMARNXJHQOWOJOR-NSHDSACASA-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 (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97483807) is (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is COC[C@H]1CN(c2cc(OC)ncn2)Cc2cncn2C1.
What is the InChIKey of (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is MARNXJHQOWOJOR-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
(6S)-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 (6S)-6-(methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97483807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).