4-(5-fluoropyrimidin-2-yl)-N-methylaniline

C11H10FN3 — CID 156821684

IUPAC4-(5-fluoropyrimidin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C11H10FN3/c1-13-10-4-2-8(3-5-10)11-14-6-9(12)7-15-11/h2-7,13H,1H3
InChIKeyODCUTYKYMQSEQW-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.32
Rot. Bonds2

About 4-(5-fluoropyrimidin-2-yl)-N-methylaniline

4-(5-fluoropyrimidin-2-yl)-N-methylaniline (PubChem CID 156821684) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-N-methylaniline
PubChem CID156821684
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name4-(5-fluoropyrimidin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C11H10FN3/c1-13-10-4-2-8(3-5-10)11-14-6-9(12)7-15-11/h2-7,13H,1H3
InChIKeyODCUTYKYMQSEQW-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methoxypyrimidin-2-yl)-N-methylaniline
CID 156821520
N-methyl-4-pyrimidin-2-ylaniline
CID 59619192
2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 167211476
2-[4-[1-(disulfanyl)ethyl]phenyl]-5-fluoropyrimidine
CID 123572443
[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine
CID 154945638
N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212348
5-fluoro-2-(4-propa-1,2-dienylphenyl)pyrimidine
CID 90769259
4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
CID 83895493
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
CID 101484197

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-N-methylaniline?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-N-methylaniline (CID 156821684) is 4-(5-fluoropyrimidin-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-N-methylaniline?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-N-methylaniline is CNc1ccc(-c2ncc(F)cn2)cc1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-N-methylaniline?
The InChIKey is ODCUTYKYMQSEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c1-13-10-4-2-8(3-5-10)11-14-6-9(12)7-15-11/h2-7,13H,1H3.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-N-methylaniline?
4-(5-fluoropyrimidin-2-yl)-N-methylaniline has a molecular weight of 203.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-N-methylaniline is sourced from PubChem (CID 156821684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).