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

C16H25N7 — CID 97405482

IUPACN-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
SMILESCN(C)CCN1CCCn2cnc(CNc3ncccn3)c2C1
InChIInChI=1S/C16H25N7/c1-21(2)9-10-22-7-4-8-23-13-20-14(15(23)12-22)11-19-16-17-5-3-6-18-16/h3,5-6,13H,4,7-12H2,1-2H3,(H,17,18,19)
InChIKeyZVUFIBUJXPUIFZ-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.05
Rot. Bonds6

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

N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 97405482) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
PubChem CID97405482
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC NameN-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
SMILESCN(C)CCN1CCCn2cnc(CNc3ncccn3)c2C1
InChIInChI=1S/C16H25N7/c1-21(2)9-10-22-7-4-8-23-13-20-14(15(23)12-22)11-19-16-17-5-3-6-18-16/h3,5-6,13H,4,7-12H2,1-2H3,(H,17,18,19)
InChIKeyZVUFIBUJXPUIFZ-UHFFFAOYSA-N
XLogP1.05
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine (CID 97405482) is N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine is CN(C)CCN1CCCn2cnc(CNc3ncccn3)c2C1.
What is the InChIKey of N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is ZVUFIBUJXPUIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-21(2)9-10-22-7-4-8-23-13-20-14(15(23)12-22)11-19-16-17-5-3-6-18-16/h3,5-6,13H,4,7-12H2,1-2H3,(H,17,18,19).
What are the key properties of N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 315.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97405482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).