4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine

C9H14ClN3O — CID 80739777

IUPAC4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
SMILESCC(C)CCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN3O/c1-6(2)3-4-14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyXVGGWNUBFJOEQQ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.14
Rot. Bonds4

About 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine

4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine (PubChem CID 80739777) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
PubChem CID80739777
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
SMILESCC(C)CCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN3O/c1-6(2)3-4-14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyXVGGWNUBFJOEQQ-UHFFFAOYSA-N
XLogP2.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine (CID 80739777) is 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine is CC(C)CCOc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine?
The InChIKey is XVGGWNUBFJOEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(2)3-4-14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine?
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine has a molecular weight of 215.68 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine is sourced from PubChem (CID 80739777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).