N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine

C11H19N5 — CID 83822660

IUPACN'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
SMILESCN1CCC(N(CCN)c2cncnc2)C1
InChIInChI=1S/C11H19N5/c1-15-4-2-10(8-15)16(5-3-12)11-6-13-9-14-7-11/h6-7,9-10H,2-5,8,12H2,1H3
InChIKeyOWQLJFLZHKAAEA-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.05
Rot. Bonds4

About N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine

N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine (PubChem CID 83822660) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
PubChem CID83822660
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
SMILESCN1CCC(N(CCN)c2cncnc2)C1
InChIInChI=1S/C11H19N5/c1-15-4-2-10(8-15)16(5-3-12)11-6-13-9-14-7-11/h6-7,9-10H,2-5,8,12H2,1H3
InChIKeyOWQLJFLZHKAAEA-UHFFFAOYSA-N
XLogP-0.05
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine
CID 83823087
N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
CID 83822883
5-[(E)-2-[(3R)-1-methylpyrrolidin-3-yl]ethenyl]pyrimidine
CID 11715315
5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine
CID 10103973
N'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 107365088
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 83821361
2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
CID 114722738
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114216274
N-methanidyl-N,1-dimethylpyrrolidin-3-amine
CID 21039801

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
The IUPAC name of N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine (CID 83822660) is N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
The canonical SMILES for N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine is CN1CCC(N(CCN)c2cncnc2)C1.
What is the InChIKey of N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
The InChIKey is OWQLJFLZHKAAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-4-2-10(8-15)16(5-3-12)11-6-13-9-14-7-11/h6-7,9-10H,2-5,8,12H2,1H3.
What are the key properties of N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine?
N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine has a molecular weight of 221.31 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrrolidin-3-yl)-N'-pyrimidin-5-ylethane-1,2-diamine is sourced from PubChem (CID 83822660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).