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

C24H25FN6O — CID 147189918

IUPAC6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
SMILESCC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCN(C)CC5)cn4)ncn3)c2F)C1
InChIInChI=1S/C24H25FN6O/c1-16-11-17-3-5-20(24(25)19(17)12-16)32-23-13-22(27-15-28-23)29-21-6-4-18(14-26-21)31-9-7-30(2)8-10-31/h3-6,12-15H,7-11H2,1-2H3,(H,26,27,28,29)
InChIKeyCBFWHZXPDPMTLP-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.26
Rot. Bonds5

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

6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 147189918) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID147189918
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
SMILESCC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCN(C)CC5)cn4)ncn3)c2F)C1
InChIInChI=1S/C24H25FN6O/c1-16-11-17-3-5-20(24(25)19(17)12-16)32-23-13-22(27-15-28-23)29-21-6-4-18(14-26-21)31-9-7-30(2)8-10-31/h3-6,12-15H,7-11H2,1-2H3,(H,26,27,28,29)
InChIKeyCBFWHZXPDPMTLP-UHFFFAOYSA-N
XLogP4.26
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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 6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (CID 147189918) is 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 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 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(Oc3cc(Nc4ccc(N5CCN(C)CC5)cn4)ncn3)c2F)C1.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is CBFWHZXPDPMTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-11-17-3-5-20(24(25)19(17)12-16)32-23-13-22(27-15-28-23)29-21-6-4-18(14-26-21)31-9-7-30(2)8-10-31/h3-6,12-15H,7-11H2,1-2H3,(H,26,27,28,29).
What are the key properties of 6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
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 432.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 147189918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).