N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine

C9H15ClN4 — CID 79557378

IUPACN-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ncc(Cl)cn1
InChIInChI=1S/C9H15ClN4/c1-3-14(2)5-4-11-9-12-6-8(10)7-13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJSRASYNXEZFMRF-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.49
Rot. Bonds5

About N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 79557378) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID79557378
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC NameN-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ncc(Cl)cn1
InChIInChI=1S/C9H15ClN4/c1-3-14(2)5-4-11-9-12-6-8(10)7-13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJSRASYNXEZFMRF-UHFFFAOYSA-N
XLogP1.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 79557378) is N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1ncc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is JSRASYNXEZFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-3-14(2)5-4-11-9-12-6-8(10)7-13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79557378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).