5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine

C11H18ClN3 — CID 79557732

IUPAC5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
SMILESCCC(CC)C(C)Nc1ncc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-4-9(5-2)8(3)15-11-13-6-10(12)7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyNRGLERBURXXEIY-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.37
Rot. Bonds5

About 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine

5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine (PubChem CID 79557732) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
PubChem CID79557732
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
SMILESCCC(CC)C(C)Nc1ncc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-4-9(5-2)8(3)15-11-13-6-10(12)7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyNRGLERBURXXEIY-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine (CID 79557732) is 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine is CCC(CC)C(C)Nc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine?
The InChIKey is NRGLERBURXXEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-9(5-2)8(3)15-11-13-6-10(12)7-14-11/h6-9H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine?
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 79557732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).