N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine

C19H18FN3 — CID 4259434

IUPACN-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(F)cc2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H18FN3/c1-14-21-18(16-8-10-17(20)11-9-16)12-19(22-14)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyKZUAPPJSFVTLOZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.23
Rot. Bonds4

About N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine

N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 4259434) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine
PubChem CID4259434
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC NameN-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(F)cc2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H18FN3/c1-14-21-18(16-8-10-17(20)11-9-16)12-19(22-14)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyKZUAPPJSFVTLOZ-UHFFFAOYSA-N
XLogP4.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine (CID 4259434) is N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine is Cc1nc(-c2ccc(F)cc2)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is KZUAPPJSFVTLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-14-21-18(16-8-10-17(20)11-9-16)12-19(22-14)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine?
N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 307.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 4259434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).