N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine

C17H24N6O — CID 118746362

IUPACN-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine
SMILESCN(Cc1cncnc1)Cc1cn2c(n1)CN(C1CCOC1)CC2
InChIInChI=1S/C17H24N6O/c1-21(8-14-6-18-13-19-7-14)9-15-10-23-4-3-22(11-17(23)20-15)16-2-5-24-12-16/h6-7,10,13,16H,2-5,8-9,11-12H2,1H3
InChIKeyJHJIVRJWXWMNLE-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.91
Rot. Bonds5

About N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine

N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine (PubChem CID 118746362) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine
PubChem CID118746362
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine
SMILESCN(Cc1cncnc1)Cc1cn2c(n1)CN(C1CCOC1)CC2
InChIInChI=1S/C17H24N6O/c1-21(8-14-6-18-13-19-7-14)9-15-10-23-4-3-22(11-17(23)20-15)16-2-5-24-12-16/h6-7,10,13,16H,2-5,8-9,11-12H2,1H3
InChIKeyJHJIVRJWXWMNLE-UHFFFAOYSA-N
XLogP0.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine?
The IUPAC name of N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine (CID 118746362) is N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine is CN(Cc1cncnc1)Cc1cn2c(n1)CN(C1CCOC1)CC2.
What is the InChIKey of N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine?
The InChIKey is JHJIVRJWXWMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21(8-14-6-18-13-19-7-14)9-15-10-23-4-3-22(11-17(23)20-15)16-2-5-24-12-16/h6-7,10,13,16H,2-5,8-9,11-12H2,1H3.
What are the key properties of N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine?
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine has a molecular weight of 328.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 118746362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).