N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine

C17H24N6O — CID 97413594

IUPACN-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine
SMILESc1cnc(N2CCCn3cnc(CNC4CCOCC4)c3C2)nc1
InChIInChI=1S/C17H24N6O/c1-5-18-17(19-6-1)22-7-2-8-23-13-21-15(16(23)12-22)11-20-14-3-9-24-10-4-14/h1,5-6,13-14,20H,2-4,7-12H2
InChIKeyHNGXUNPAUYEUHD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.35
Rot. Bonds4

About N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine

N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine (PubChem CID 97413594) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine
PubChem CID97413594
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine
SMILESc1cnc(N2CCCn3cnc(CNC4CCOCC4)c3C2)nc1
InChIInChI=1S/C17H24N6O/c1-5-18-17(19-6-1)22-7-2-8-23-13-21-15(16(23)12-22)11-20-14-3-9-24-10-4-14/h1,5-6,13-14,20H,2-4,7-12H2
InChIKeyHNGXUNPAUYEUHD-UHFFFAOYSA-N
XLogP1.35
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine (CID 97413594) is N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine is c1cnc(N2CCCn3cnc(CNC4CCOCC4)c3C2)nc1.
What is the InChIKey of N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine?
The InChIKey is HNGXUNPAUYEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-5-18-17(19-6-1)22-7-2-8-23-13-21-15(16(23)12-22)11-20-14-3-9-24-10-4-14/h1,5-6,13-14,20H,2-4,7-12H2.
What are the key properties of N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine?
N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine has a molecular weight of 328.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 97413594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).