4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine

C26H31FN4O2 — CID 141304819

IUPAC4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine
SMILESCCN(CC)CCOc1cc(Nc2nccc(-c3ccc(OCC4CC4)cc3)n2)ccc1F
InChIInChI=1S/C26H31FN4O2/c1-3-31(4-2)15-16-32-25-17-21(9-12-23(25)27)29-26-28-14-13-24(30-26)20-7-10-22(11-8-20)33-18-19-5-6-19/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,28,29,30)
InChIKeyARMCKWIEZJHVHW-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.54
Rot. Bonds12

About 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine

4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine (PubChem CID 141304819) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine
PubChem CID141304819
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine
SMILESCCN(CC)CCOc1cc(Nc2nccc(-c3ccc(OCC4CC4)cc3)n2)ccc1F
InChIInChI=1S/C26H31FN4O2/c1-3-31(4-2)15-16-32-25-17-21(9-12-23(25)27)29-26-28-14-13-24(30-26)20-7-10-22(11-8-20)33-18-19-5-6-19/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,28,29,30)
InChIKeyARMCKWIEZJHVHW-UHFFFAOYSA-N
XLogP5.54
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-cyclohexylethoxy)phenyl]-N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methylpyrimidin-2-amine
CID 71450100
3-[2-fluoro-5-[[4-[4-(oxan-4-yloxy)phenyl]pyrimidin-2-yl]amino]phenoxy]propane-1,2-diol
CID 141304779
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 10321920
4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11238839
5-[2-[4-fluoro-3-(2-piperazin-1-ylethoxy)anilino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 67114649
5-[2-[[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]methyl]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 147846784
2-[2-(diethylamino)ethoxy]-5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzaldehyde
CID 89128915
N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 142745751
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
CID 10164428
4-[2-(2,6-dichlorophenyl)-4-(3-ethynylphenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11284831

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine (CID 141304819) is 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine is CCN(CC)CCOc1cc(Nc2nccc(-c3ccc(OCC4CC4)cc3)n2)ccc1F.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine?
The InChIKey is ARMCKWIEZJHVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-3-31(4-2)15-16-32-25-17-21(9-12-23(25)27)29-26-28-14-13-24(30-26)20-7-10-22(11-8-20)33-18-19-5-6-19/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,28,29,30).
What are the key properties of 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine?
4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine has a molecular weight of 450.56 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)phenyl]-N-[3-[2-(diethylamino)ethoxy]-4-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 141304819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).