2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine

C11H20N4 — CID 65039513

IUPAC2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine
SMILESCCC(CC)(CC)Nc1ncc(N)cn1
InChIInChI=1S/C11H20N4/c1-4-11(5-2,6-3)15-10-13-7-9(12)8-14-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyHUUKNNXWPYMDSP-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.44
Rot. Bonds5

About 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine

2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine (PubChem CID 65039513) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine
PubChem CID65039513
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine
SMILESCCC(CC)(CC)Nc1ncc(N)cn1
InChIInChI=1S/C11H20N4/c1-4-11(5-2,6-3)15-10-13-7-9(12)8-14-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyHUUKNNXWPYMDSP-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine (CID 65039513) is 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine is CCC(CC)(CC)Nc1ncc(N)cn1.
What is the InChIKey of 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine?
The InChIKey is HUUKNNXWPYMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-11(5-2,6-3)15-10-13-7-9(12)8-14-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine?
2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-3-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 65039513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).