2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

C14H17FN4 — CID 74233257

IUPAC2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccccc1-c1ncc(F)c(N(C)C)n1
InChIInChI=1S/C14H17FN4/c1-18(2)12-8-6-5-7-10(12)13-16-9-11(15)14(17-13)19(3)4/h5-9H,1-4H3
InChIKeyPTPSJJQKFNSCFQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 74233257) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID74233257
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccccc1-c1ncc(F)c(N(C)C)n1
InChIInChI=1S/C14H17FN4/c1-18(2)12-8-6-5-7-10(12)13-16-9-11(15)14(17-13)19(3)4/h5-9H,1-4H3
InChIKeyPTPSJJQKFNSCFQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (CID 74233257) is 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccccc1-c1ncc(F)c(N(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is PTPSJJQKFNSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-18(2)12-8-6-5-7-10(12)13-16-9-11(15)14(17-13)19(3)4/h5-9H,1-4H3.
What are the key properties of 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 260.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)phenyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 74233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).