2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine

C11H20N4 — CID 63760223

IUPAC2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ncc(C)cn1
InChIInChI=1S/C11H20N4/c1-4-11(5-2,8-12)15-10-13-6-9(3)7-14-10/h6-7H,4-5,8,12H2,1-3H3,(H,13,14,15)
InChIKeyQZUQOIZHXYPASW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.71
Rot. Bonds5

About 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine

2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine (PubChem CID 63760223) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
PubChem CID63760223
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ncc(C)cn1
InChIInChI=1S/C11H20N4/c1-4-11(5-2,8-12)15-10-13-6-9(3)7-14-10/h6-7H,4-5,8,12H2,1-3H3,(H,13,14,15)
InChIKeyQZUQOIZHXYPASW-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 64551760
2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine
CID 65039513
ethyl 2-[3-(aminomethyl)pentan-3-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83182064
2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine
CID 83064614
N-(1-chloro-3-methylpentan-3-yl)-5-methylpyrimidin-2-amine
CID 106167874
2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
CID 112634927
N-[3-(chloromethyl)pentan-3-yl]-5-iodopyrimidin-2-amine
CID 116649532
2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 112676161
N-butan-2-yl-5-methylpyrimidin-2-amine
CID 63208225
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
2-N,2-dimethyl-1-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 116975426
2-N-(4-bromo-1,3-thiazol-2-yl)-2-ethylbutane-1,2-diamine
CID 79400035

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine (CID 63760223) is 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine is CCC(CC)(CN)Nc1ncc(C)cn1.
What is the InChIKey of 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The InChIKey is QZUQOIZHXYPASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-11(5-2,8-12)15-10-13-6-9(3)7-14-10/h6-7H,4-5,8,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 63760223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).