2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine

C13H24N4O — CID 113283234

IUPAC2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-13(14,6-2)8-15-11-7-12(17-9-16-11)18-10(3)4/h7,9-10H,5-6,8,14H2,1-4H3,(H,15,16,17)
InChIKeyFYEKZSXLWQRRQY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.19
Rot. Bonds7

About 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine

2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine (PubChem CID 113283234) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
PubChem CID113283234
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-13(14,6-2)8-15-11-7-12(17-9-16-11)18-10(3)4/h7,9-10H,5-6,8,14H2,1-4H3,(H,15,16,17)
InChIKeyFYEKZSXLWQRRQY-UHFFFAOYSA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine (CID 113283234) is 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine is CCC(N)(CC)CNc1cc(OC(C)C)ncn1.
What is the InChIKey of 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine?
The InChIKey is FYEKZSXLWQRRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-13(14,6-2)8-15-11-7-12(17-9-16-11)18-10(3)4/h7,9-10H,5-6,8,14H2,1-4H3,(H,15,16,17).
What are the key properties of 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine?
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 113283234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).