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

C18H27N7 — CID 97405483

IUPACN-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ncn3c2CN(CCN2CCCC2)CCC3)nc1
InChIInChI=1S/C18H27N7/c1-2-8-23(7-1)11-12-24-9-4-10-25-15-22-16(17(25)14-24)13-21-18-19-5-3-6-20-18/h3,5-6,15H,1-2,4,7-14H2,(H,19,20,21)
InChIKeyTYDKSGMPFOTGRX-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.59
Rot. Bonds6

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

N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 97405483) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
PubChem CID97405483
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC NameN-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ncn3c2CN(CCN2CCCC2)CCC3)nc1
InChIInChI=1S/C18H27N7/c1-2-8-23(7-1)11-12-24-9-4-10-25-15-22-16(17(25)14-24)13-21-18-19-5-3-6-20-18/h3,5-6,15H,1-2,4,7-14H2,(H,19,20,21)
InChIKeyTYDKSGMPFOTGRX-UHFFFAOYSA-N
XLogP1.59
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine (CID 97405483) is N-[[8-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine is c1cnc(NCc2ncn3c2CN(CCN2CCCC2)CCC3)nc1.
What is the InChIKey of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is TYDKSGMPFOTGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-2-8-23(7-1)11-12-24-9-4-10-25-15-22-16(17(25)14-24)13-21-18-19-5-3-6-20-18/h3,5-6,15H,1-2,4,7-14H2,(H,19,20,21).
What are the key properties of N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine?
N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97405483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).