6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine

C12H20ClN3 — CID 65042609

IUPAC6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
SMILESCCC(CC)(CC)Nc1ncnc(Cl)c1C
InChIInChI=1S/C12H20ClN3/c1-5-12(6-2,7-3)16-11-9(4)10(13)14-8-15-11/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyLFNDGINNSMVGOD-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.82
Rot. Bonds5

About 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine

6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine (PubChem CID 65042609) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
PubChem CID65042609
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
SMILESCCC(CC)(CC)Nc1ncnc(Cl)c1C
InChIInChI=1S/C12H20ClN3/c1-5-12(6-2,7-3)16-11-9(4)10(13)14-8-15-11/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyLFNDGINNSMVGOD-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine (CID 65042609) is 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine is CCC(CC)(CC)Nc1ncnc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine?
The InChIKey is LFNDGINNSMVGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-5-12(6-2,7-3)16-11-9(4)10(13)14-8-15-11/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine?
6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 65042609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).