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

C12H22N4 — CID 106287064

IUPAC3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncc(C)cn1
InChIInChI=1S/C12H22N4/c1-4-10(5-2)11(13)8-16-12-14-6-9(3)7-15-12/h6-7,10-11H,4-5,8,13H2,1-3H3,(H,14,15,16)
InChIKeyRVNNQFILGMTVJH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.96
Rot. Bonds6

About 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine

3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine (PubChem CID 106287064) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
PubChem CID106287064
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncc(C)cn1
InChIInChI=1S/C12H22N4/c1-4-10(5-2)11(13)8-16-12-14-6-9(3)7-15-12/h6-7,10-11H,4-5,8,13H2,1-3H3,(H,14,15,16)
InChIKeyRVNNQFILGMTVJH-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine (CID 106287064) is 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine is CCC(CC)C(N)CNc1ncc(C)cn1.
What is the InChIKey of 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine?
The InChIKey is RVNNQFILGMTVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-10(5-2)11(13)8-16-12-14-6-9(3)7-15-12/h6-7,10-11H,4-5,8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine?
3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 106287064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).