6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine

C10H15ClFN3 — CID 165486456

IUPAC6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1nc(C)nc(Cl)c1F
InChIInChI=1S/C10H15ClFN3/c1-4-6-15(5-2)10-8(12)9(11)13-7(3)14-10/h4-6H2,1-3H3
InChIKeySWYZZCZOPCTYLX-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.81
Rot. Bonds4

About 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine

6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 165486456) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine
PubChem CID165486456
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1nc(C)nc(Cl)c1F
InChIInChI=1S/C10H15ClFN3/c1-4-6-15(5-2)10-8(12)9(11)13-7(3)14-10/h4-6H2,1-3H3
InChIKeySWYZZCZOPCTYLX-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine (CID 165486456) is 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine is CCCN(CC)c1nc(C)nc(Cl)c1F.
What is the InChIKey of 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is SWYZZCZOPCTYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-4-6-15(5-2)10-8(12)9(11)13-7(3)14-10/h4-6H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine?
6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 231.70 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-fluoro-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 165486456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).