4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

C21H19FN4O — CID 159097365

IUPAC4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nccc(Nc2ccc3c(c2F)C=C(C)C3)n1
InChIInChI=1S/C21H19FN4O/c1-13-11-14-7-8-17(20(22)15(14)12-13)24-19-9-10-23-21(26-19)25-16-5-3-4-6-18(16)27-2/h3-10,12H,11H2,1-2H3,(H2,23,24,25,26)
InChIKeyNYIQXEAWPHWLNP-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.07
Rot. Bonds5

About 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 159097365) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID159097365
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nccc(Nc2ccc3c(c2F)C=C(C)C3)n1
InChIInChI=1S/C21H19FN4O/c1-13-11-14-7-8-17(20(22)15(14)12-13)24-19-9-10-23-21(26-19)25-16-5-3-4-6-18(16)27-2/h3-10,12H,11H2,1-2H3,(H2,23,24,25,26)
InChIKeyNYIQXEAWPHWLNP-UHFFFAOYSA-N
XLogP5.07
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lexibulin
CID 11351021
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
Bisanilinopyrimidine, 6f
CID 70702137
SoRI 8897
CID 72509
6-[(2-Methoxy-5-methylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457343
6-[(2-Methoxy-4-phenyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472848
4-[[4-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 16723685
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
CID 11795011
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 159097365) is 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1nccc(Nc2ccc3c(c2F)C=C(C)C3)n1.
What is the InChIKey of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is NYIQXEAWPHWLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13-11-14-7-8-17(20(22)15(14)12-13)24-19-9-10-23-21(26-19)25-16-5-3-4-6-18(16)27-2/h3-10,12H,11H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 362.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159097365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).