N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine

C17H31N7 — CID 67529044

IUPACN'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H31N7/c1-22(12-6-18)13-7-19-15-14-16(23-8-2-3-9-23)21-17(20-15)24-10-4-5-11-24/h14H,2-13,18H2,1H3,(H,19,20,21)
InChIKeyZWMSWRARUXCDCU-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.98
Rot. Bonds8

About N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine

N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine (PubChem CID 67529044) has the molecular formula C17H31N7 and a molecular weight of 333.48 g/mol. Its IUPAC name is N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
PubChem CID67529044
Molecular FormulaC17H31N7
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC NameN'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H31N7/c1-22(12-6-18)13-7-19-15-14-16(23-8-2-3-9-23)21-17(20-15)24-10-4-5-11-24/h14H,2-13,18H2,1H3,(H,19,20,21)
InChIKeyZWMSWRARUXCDCU-UHFFFAOYSA-N
XLogP0.98
TPSA73.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine (CID 67529044) is N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine is CN(CCN)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is ZWMSWRARUXCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7/c1-22(12-6-18)13-7-19-15-14-16(23-8-2-3-9-23)21-17(20-15)24-10-4-5-11-24/h14H,2-13,18H2,1H3,(H,19,20,21).
What are the key properties of N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 333.48 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 67529044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).