4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine

C19H20FN5O — CID 67388887

IUPAC4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine
SMILESCOC(C)CNc1nccc(-c2ccnc(Nc3cccc(F)c3)c2)n1
InChIInChI=1S/C19H20FN5O/c1-13(26-2)12-23-19-22-9-7-17(25-19)14-6-8-21-18(10-14)24-16-5-3-4-15(20)11-16/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyCSGHTXKQTNWJHJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.87
Rot. Bonds7

About 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine

4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine (PubChem CID 67388887) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine
PubChem CID67388887
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine
SMILESCOC(C)CNc1nccc(-c2ccnc(Nc3cccc(F)c3)c2)n1
InChIInChI=1S/C19H20FN5O/c1-13(26-2)12-23-19-22-9-7-17(25-19)14-6-8-21-18(10-14)24-16-5-3-4-15(20)11-16/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyCSGHTXKQTNWJHJ-UHFFFAOYSA-N
XLogP3.87
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
4-[2-(3-chloroanilino)-4-pyridinyl]-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 67389770
4-N-(3-fluorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895100
[2-(3-fluoroanilino)-4-pyridinyl]-oxidoazanium
CID 169023037
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 16746118
4-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(3-fluorophenyl)pyrimidin-2-amine
CID 10161321
2-N-(3-fluorophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895437
3-N-butan-2-yl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112941003
ethyl 4-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112906297
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
4-N-(2,2-dimethoxyethyl)-2-N-(3-fluorophenyl)-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 11362457

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine (CID 67388887) is 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine is COC(C)CNc1nccc(-c2ccnc(Nc3cccc(F)c3)c2)n1.
What is the InChIKey of 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine?
The InChIKey is CSGHTXKQTNWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13(26-2)12-23-19-22-9-7-17(25-19)14-6-8-21-18(10-14)24-16-5-3-4-15(20)11-16/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine?
4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine has a molecular weight of 353.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoroanilino)-4-pyridinyl]-N-(2-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 67388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).