2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine

C10H15ClFN3 — CID 79081841

IUPAC2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCC(C)C(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3/c1-4-6(2)7(3)14-9-8(12)5-13-10(11)15-9/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKeyGIVQQJVEBJNOSO-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 79081841) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID79081841
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCC(C)C(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3/c1-4-6(2)7(3)14-9-8(12)5-13-10(11)15-9/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKeyGIVQQJVEBJNOSO-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine (CID 79081841) is 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine is CCC(C)C(C)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is GIVQQJVEBJNOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-4-6(2)7(3)14-9-8(12)5-13-10(11)15-9/h5-7H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 231.70 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79081841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).