2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine

C15H17ClFN3 — CID 114488677

IUPAC2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(Cl)c2F)nc(C)c1C
InChIInChI=1S/C15H17ClFN3/c1-4-8-18-14-9(2)10(3)19-15(20-14)11-6-5-7-12(16)13(11)17/h5-7H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyUVUPTWJYUYDLBJ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.37
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine

2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 114488677) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID114488677
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(Cl)c2F)nc(C)c1C
InChIInChI=1S/C15H17ClFN3/c1-4-8-18-14-9(2)10(3)19-15(20-14)11-6-5-7-12(16)13(11)17/h5-7H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyUVUPTWJYUYDLBJ-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 114488677) is 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc(Cl)c2F)nc(C)c1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is UVUPTWJYUYDLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-4-8-18-14-9(2)10(3)19-15(20-14)11-6-5-7-12(16)13(11)17/h5-7H,4,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114488677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).