N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine

C15H18FN3 — CID 116546100

IUPACN-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
SMILESCCCc1cccc(-c2nc(NCC)ncc2F)c1
InChIInChI=1S/C15H18FN3/c1-3-6-11-7-5-8-12(9-11)14-13(16)10-18-15(19-14)17-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyDMWVYSVMSPWPST-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine (PubChem CID 116546100) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
PubChem CID116546100
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
SMILESCCCc1cccc(-c2nc(NCC)ncc2F)c1
InChIInChI=1S/C15H18FN3/c1-3-6-11-7-5-8-12(9-11)14-13(16)10-18-15(19-14)17-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyDMWVYSVMSPWPST-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine (CID 116546100) is N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine is CCCc1cccc(-c2nc(NCC)ncc2F)c1.
What is the InChIKey of N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine?
The InChIKey is DMWVYSVMSPWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-6-11-7-5-8-12(9-11)14-13(16)10-18-15(19-14)17-4-2/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 116546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).