2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine

C12H22N4 — CID 62698957

IUPAC2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ncccn1
InChIInChI=1S/C12H22N4/c1-4-12(5-2,10-13)16(3)9-11-14-7-6-8-15-11/h6-8H,4-5,9-10,13H2,1-3H3
InChIKeyYRIIAHDCSFWIKW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.43
Rot. Bonds6

About 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine

2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine (PubChem CID 62698957) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
PubChem CID62698957
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ncccn1
InChIInChI=1S/C12H22N4/c1-4-12(5-2,10-13)16(3)9-11-14-7-6-8-15-11/h6-8H,4-5,9-10,13H2,1-3H3
InChIKeyYRIIAHDCSFWIKW-UHFFFAOYSA-N
XLogP1.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine (CID 62698957) is 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine is CCC(CC)(CN)N(C)Cc1ncccn1.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine?
The InChIKey is YRIIAHDCSFWIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-12(5-2,10-13)16(3)9-11-14-7-6-8-15-11/h6-8H,4-5,9-10,13H2,1-3H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62698957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).