N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C19H26ClN5 — CID 120912737

IUPACN'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCc1cc(C)n2c(CN(CCN)CCc3ccccc3)cnc2n1.Cl
InChIInChI=1S/C19H25N5.ClH/c1-15-12-16(2)24-18(13-21-19(24)22-15)14-23(11-9-20)10-8-17-6-4-3-5-7-17;/h3-7,12-13H,8-11,14,20H2,1-2H3;1H
InChIKeyDFONNAVQTIFHPJ-UHFFFAOYSA-N
MW359.91 g/mol
LogP2.77
Rot. Bonds7

About N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120912737) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120912737
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC NameN'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCc1cc(C)n2c(CN(CCN)CCc3ccccc3)cnc2n1.Cl
InChIInChI=1S/C19H25N5.ClH/c1-15-12-16(2)24-18(13-21-19(24)22-15)14-23(11-9-20)10-8-17-6-4-3-5-7-17;/h3-7,12-13H,8-11,14,20H2,1-2H3;1H
InChIKeyDFONNAVQTIFHPJ-UHFFFAOYSA-N
XLogP2.77
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120912737) is N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is Cc1cc(C)n2c(CN(CCN)CCc3ccccc3)cnc2n1.Cl.
What is the InChIKey of N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is DFONNAVQTIFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5.ClH/c1-15-12-16(2)24-18(13-21-19(24)22-15)14-23(11-9-20)10-8-17-6-4-3-5-7-17;/h3-7,12-13H,8-11,14,20H2,1-2H3;1H.
What are the key properties of N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 359.91 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).