N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine

C21H25N5O — CID 119064821

IUPACN'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNc1cc(C2CCOC2)ncn1)Cc1ccc2ccccc2n1
InChIInChI=1S/C21H25N5O/c1-26(13-18-7-6-16-4-2-3-5-19(16)25-18)10-9-22-21-12-20(23-15-24-21)17-8-11-27-14-17/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,22,23,24)
InChIKeyXIXNBQSHPGSCAE-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.07
Rot. Bonds7

About N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine

N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 119064821) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine
PubChem CID119064821
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNc1cc(C2CCOC2)ncn1)Cc1ccc2ccccc2n1
InChIInChI=1S/C21H25N5O/c1-26(13-18-7-6-16-4-2-3-5-19(16)25-18)10-9-22-21-12-20(23-15-24-21)17-8-11-27-14-17/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,22,23,24)
InChIKeyXIXNBQSHPGSCAE-UHFFFAOYSA-N
XLogP3.07
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine (CID 119064821) is N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine is CN(CCNc1cc(C2CCOC2)ncn1)Cc1ccc2ccccc2n1.
What is the InChIKey of N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is XIXNBQSHPGSCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-26(13-18-7-6-16-4-2-3-5-19(16)25-18)10-9-22-21-12-20(23-15-24-21)17-8-11-27-14-17/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,22,23,24).
What are the key properties of N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 119064821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).