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

C12H12FN3 — CID 604830

IUPAC6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C12H12FN3/c1-16(2)12-7-11(14-8-15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyCKIWIIYXXYVGPP-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.35
Rot. Bonds2

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

6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 604830) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine
PubChem CID604830
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C12H12FN3/c1-16(2)12-7-11(14-8-15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyCKIWIIYXXYVGPP-UHFFFAOYSA-N
XLogP2.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminoquinazoline
CID 84759
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Iodo-6-phenylpyrimidine
CID 817368
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine (CID 604830) is 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(-c2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is CKIWIIYXXYVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-16(2)12-7-11(14-8-15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine?
6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 217.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 604830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).