2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine

C12H12FN3O — CID 83895493

IUPAC2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
SMILESCNc1cnc(-c2ccc(F)cc2)nc1OC
InChIInChI=1S/C12H12FN3O/c1-14-10-7-15-11(16-12(10)17-2)8-3-5-9(13)6-4-8/h3-7,14H,1-2H3
InChIKeyZRALEPYCZDMQSY-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine

2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine (PubChem CID 83895493) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
PubChem CID83895493
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
SMILESCNc1cnc(-c2ccc(F)cc2)nc1OC
InChIInChI=1S/C12H12FN3O/c1-14-10-7-15-11(16-12(10)17-2)8-3-5-9(13)6-4-8/h3-7,14H,1-2H3
InChIKeyZRALEPYCZDMQSY-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine
CID 83893674
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 62190613
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
CID 171920546
4-(5-fluoropyrimidin-2-yl)-N-methylaniline
CID 156821684
2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 83888554
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567202
[6-(4-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850539
N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122304078
4-(5-methoxypyrimidin-2-yl)-N-methylaniline
CID 156821520
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
5-(4-fluorophenyl)-6-methoxypyridin-3-amine
CID 46311843

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine (CID 83895493) is 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine is CNc1cnc(-c2ccc(F)cc2)nc1OC.
What is the InChIKey of 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine?
The InChIKey is ZRALEPYCZDMQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-10-7-15-11(16-12(10)17-2)8-3-5-9(13)6-4-8/h3-7,14H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine?
2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine has a molecular weight of 233.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine is sourced from PubChem (CID 83895493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).