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

C25H26F2N6O — CID 148939081

IUPACN-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(c4F)C=C(C)C5)c3F)nc2)CC1
InChIInChI=1S/C25H26F2N6O/c1-3-32-8-10-33(11-9-32)18-5-7-21(28-14-18)31-24-23(27)25(30-15-29-24)34-20-6-4-17-12-16(2)13-19(17)22(20)26/h4-7,13-15H,3,8-12H2,1-2H3,(H,28,29,30,31)
InChIKeyPNNSZIDYDGOZPA-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.79
Rot. Bonds6

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

N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine (PubChem CID 148939081) has the molecular formula C25H26F2N6O and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
PubChem CID148939081
Molecular FormulaC25H26F2N6O
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC NameN-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(c4F)C=C(C)C5)c3F)nc2)CC1
InChIInChI=1S/C25H26F2N6O/c1-3-32-8-10-33(11-9-32)18-5-7-21(28-14-18)31-24-23(27)25(30-15-29-24)34-20-6-4-17-12-16(2)13-19(17)22(20)26/h4-7,13-15H,3,8-12H2,1-2H3,(H,28,29,30,31)
InChIKeyPNNSZIDYDGOZPA-UHFFFAOYSA-N
XLogP4.79
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine (CID 148939081) is N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine is CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(c4F)C=C(C)C5)c3F)nc2)CC1.
What is the InChIKey of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is PNNSZIDYDGOZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O/c1-3-32-8-10-33(11-9-32)18-5-7-21(28-14-18)31-24-23(27)25(30-15-29-24)34-20-6-4-17-12-16(2)13-19(17)22(20)26/h4-7,13-15H,3,8-12H2,1-2H3,(H,28,29,30,31).
What are the key properties of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 464.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 148939081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).