N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

C11H20N4 — CID 103279487

IUPACN'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-5-7-13-10(14-9)15(4)8-6-12/h5,7H,6,8,12H2,1-4H3
InChIKeyJRMYRPCVXKAEEM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.17
Rot. Bonds3

About N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 103279487) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID103279487
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-5-7-13-10(14-9)15(4)8-6-12/h5,7H,6,8,12H2,1-4H3
InChIKeyJRMYRPCVXKAEEM-UHFFFAOYSA-N
XLogP1.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 103279487) is N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1nccc(C(C)(C)C)n1.
What is the InChIKey of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is JRMYRPCVXKAEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)9-5-7-13-10(14-9)15(4)8-6-12/h5,7H,6,8,12H2,1-4H3.
What are the key properties of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).