[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone

C15H19N5O2 — CID 97482679

IUPAC[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
SMILESCCOC[C@H]1CN(C(=O)c2ccncn2)Cc2cncn2C1
InChIInChI=1S/C15H19N5O2/c1-2-22-9-12-6-19(8-13-5-17-11-20(13)7-12)15(21)14-3-4-16-10-18-14/h3-5,10-12H,2,6-9H2,1H3/t12-/m0/s1
InChIKeyRHTVRLUUFUOZAD-LBPRGKRZSA-N
MW301.35 g/mol
LogP0.98
Rot. Bonds4

About [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone

[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone (PubChem CID 97482679) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
PubChem CID97482679
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone
SMILESCCOC[C@H]1CN(C(=O)c2ccncn2)Cc2cncn2C1
InChIInChI=1S/C15H19N5O2/c1-2-22-9-12-6-19(8-13-5-17-11-20(13)7-12)15(21)14-3-4-16-10-18-14/h3-5,10-12H,2,6-9H2,1H3/t12-/m0/s1
InChIKeyRHTVRLUUFUOZAD-LBPRGKRZSA-N
XLogP0.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 53602022
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53608900
2-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 119070905
7-[(2-Isopropylpyrimidin-4-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 119073073
2-isopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 121501441
N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126450057
2-Propan-2-ylimidazo[1,2-a]pyrimidine-7-carboxamide
CID 89954108
N,N-diethyl-2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carboxamide
CID 89954351
(3-Methylpyrrolidin-1-yl)-pyrimidin-4-ylmethanone
CID 127942811
2-(3-Methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 141444742
2-Tert-butyl-6-methoxypyrazino[1,2-c]pyrimidin-5-ium-1-one
CID 153432384
2-imidazol-1-yl-N-[3-(2-methoxyethoxy)cyclobutyl]pyrimidine-4-carboxamide
CID 156885778

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone (CID 97482679) is [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone is CCOC[C@H]1CN(C(=O)c2ccncn2)Cc2cncn2C1.
What is the InChIKey of [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone?
The InChIKey is RHTVRLUUFUOZAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-22-9-12-6-19(8-13-5-17-11-20(13)7-12)15(21)14-3-4-16-10-18-14/h3-5,10-12H,2,6-9H2,1H3/t12-/m0/s1.
What are the key properties of [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone?
[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone has a molecular weight of 301.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97482679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).