5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine

C24H24ClFN6O — CID 149475808

IUPAC5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
SMILESCC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)c2F)C1
InChIInChI=1S/C24H24ClFN6O/c1-15-11-16-3-5-19(22(26)18(16)12-15)33-24-21(25)23(28-14-29-24)30-20-6-4-17(13-27-20)32-9-7-31(2)8-10-32/h3-6,12-14H,7-11H2,1-2H3,(H,27,28,29,30)
InChIKeyZCGMUMHCKTWSLU-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.91
Rot. Bonds5

About 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine

5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 149475808) has the molecular formula C24H24ClFN6O and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID149475808
Molecular FormulaC24H24ClFN6O
Molecular Weight466.95 g/mol
Exact Mass466.17
IUPAC Name5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
SMILESCC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)c2F)C1
InChIInChI=1S/C24H24ClFN6O/c1-15-11-16-3-5-19(22(26)18(16)12-15)33-24-21(25)23(28-14-29-24)30-20-6-4-17(13-27-20)32-9-7-31(2)8-10-32/h3-6,12-14H,7-11H2,1-2H3,(H,27,28,29,30)
InChIKeyZCGMUMHCKTWSLU-UHFFFAOYSA-N
XLogP4.91
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (CID 149475808) is 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine is CC1=Cc2c(ccc(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)c2F)C1.
What is the InChIKey of 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is ZCGMUMHCKTWSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O/c1-15-11-16-3-5-19(22(26)18(16)12-15)33-24-21(25)23(28-14-29-24)30-20-6-4-17(13-27-20)32-9-7-31(2)8-10-32/h3-6,12-14H,7-11H2,1-2H3,(H,27,28,29,30).
What are the key properties of 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 466.95 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 149475808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).